# generated using pymatgen
data_Li5TiN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45156900
_cell_length_b   8.46718167
_cell_length_c   21.30684828
_cell_angle_alpha   97.60744840
_cell_angle_beta   97.60378767
_cell_angle_gamma   109.44378500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5TiN3
_chemical_formula_sum   'Li80 Ti16 N48'
_cell_volume   1399.51767765
_cell_formula_units_Z   16
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.51755400  0.52654600  0.74580400  1
  Li  Li1  1  0.85557100  0.31379900  0.91819500  1
  Li  Li2  1  0.58527300  0.12356800  0.92189100  1
  Li  Li3  1  0.81702300  0.83012900  0.92206700  1
  Li  Li4  1  0.33657200  0.61763200  0.67895500  1
  Li  Li5  1  0.39843900  0.12413700  0.83243700  1
  Li  Li6  1  0.34981500  0.07729200  0.64752100  1
  Li  Li7  1  0.83447100  0.84295700  0.41370600  1
  Li  Li8  1  0.17785500  0.63482600  0.58602100  1
  Li  Li9  1  0.07033400  0.36330000  0.66149600  1
  Li  Li10  1  0.54992500  0.57864500  0.91121700  1
  Li  Li11  1  0.26346100  0.78004000  0.76272200  1
  Li  Li12  1  0.01780200  0.51750600  0.75859500  1
  Li  Li13  1  0.89973800  0.46620500  0.58490500  1
  Li  Li14  1  0.13668900  0.14581600  0.58992000  1
  Li  Li15  1  0.32327200  0.30516300  0.91974400  1
  Li  Li16  1  0.13240400  0.92183300  0.83489000  1
  Li  Li17  1  0.67512600  0.94178300  0.34188900  1
  Li  Li18  1  0.40283200  0.64718100  0.82381000  1
  Li  Li19  1  0.88354800  0.91458400  0.57891500  1
  Li  Li20  1  0.92243300  0.67554100  0.84033300  1
  Li  Li21  1  0.17529800  0.42509900  0.84336600  1
  Li  Li22  1  0.71386900  0.47133300  0.48857400  1
  Li  Li23  1  0.67522400  0.42900600  0.32677900  1
  Li  Li24  1  0.97499400  0.00031100  0.75315900  1
  Li  Li25  1  0.42112400  0.69232500  0.33893600  1
  Li  Li26  1  0.59755400  0.09341500  0.42321900  1
  Li  Li27  1  0.81953900  0.56762800  0.67597800  1
  Li  Li28  1  0.51196000  0.96830300  0.25285800  1
  Li  Li29  1  0.07107900  0.08236000  0.92215700  1
  Li  Li30  1  0.34056600  0.83561100  0.42381500  1
  Li  Li31  1  0.57870900  0.58161600  0.40832000  1
  Li  Li32  1  0.24942500  0.78263900  0.25924100  1
  Li  Li33  1  0.68364900  0.65947900  0.58295100  1
  Li  Li34  1  0.85947600  0.08582000  0.66597800  1
  Li  Li35  1  0.46990800  0.23199700  0.48620300  1
  Li  Li36  1  0.95122400  0.18483600  0.83834200  1
  Li  Li37  1  0.47493100  0.48558400  0.25805000  1
  Li  Li38  1  0.58627600  0.32262300  0.68200700  1
  Li  Li39  1  0.07891800  0.55939100  0.91714500  1
  Li  Li40  1  0.76469500  0.74660500  0.75225800  1
  Li  Li41  1  0.74255500  0.97913000  0.49290900  1
  Li  Li42  1  0.60526900  0.83231600  0.66762200  1
  Li  Li43  1  0.25722100  0.00305500  0.50817000  1
  Li  Li44  1  0.22001800  0.25154500  0.24752500  1
  Li  Li45  1  0.01507800  0.75428100  0.98574500  1
  Li  Li46  1  0.51622700  0.73494300  0.49433300  1
  Li  Li47  1  0.33505900  0.35708300  0.41800300  1
  Li  Li48  1  0.06679600  0.78838300  0.16518800  1
  Li  Li49  1  0.93766600  0.42584500  0.08677400  1
  Li  Li50  1  0.15272600  0.90211600  0.34286000  1
  Li  Li51  1  0.78193400  0.23959000  0.74649100  1
  Li  Li52  1  0.68259800  0.18149400  0.09035100  1
  Li  Li53  1  0.49881300  0.01185800  0.73700400  1
  Li  Li54  1  0.41816000  0.87637800  0.57922400  1
  Li  Li55  1  0.26214400  0.52861100  0.49425900  1
  Li  Li56  1  0.19197500  0.42311200  0.33792200  1
  Li  Li57  1  0.02065800  0.99181000  0.25115800  1
  Li  Li58  1  0.91589700  0.66497000  0.34491200  1
  Li  Li59  1  0.80546900  0.56411800  0.15308200  1
  Li  Li60  1  0.09732700  0.08338300  0.41880700  1
  Li  Li61  1  0.07526500  0.31489600  0.15899800  1
  Li  Li62  1  0.93977600  0.16835900  0.33283600  1
  Li  Li63  1  0.58959400  0.33999100  0.17533100  1
  Li  Li64  1  0.64215700  0.66888500  0.08642600  1
  Li  Li65  1  0.84434700  0.09164400  0.17520800  1
  Li  Li66  1  0.74572300  0.02628900  0.99765200  1
  Li  Li67  1  0.48654200  0.22977500  0.00566400  1
  Li  Li68  1  0.10155000  0.57704600  0.40820400  1
  Li  Li69  1  0.82358300  0.33714500  0.40381200  1
  Li  Li70  1  0.52602600  0.75072000  0.99981800  1
  Li  Li71  1  0.59672400  0.86486300  0.16185500  1
  Li  Li72  1  0.73657300  0.22479400  0.25384000  1
  Li  Li73  1  0.42794000  0.41069100  0.08338200  1
  Li  Li74  1  0.26609800  0.50232400  0.99541000  1
  Li  Li75  1  0.17727500  0.18765600  0.07905600  1
  Li  Li76  1  0.43567300  0.91610600  0.07117200  1
  Li  Li77  1  0.16747900  0.67890300  0.06969700  1
  Li  Li78  1  0.24140200  0.00089100  0.00604400  1
  Li  Li79  1  0.01261500  0.26621900  0.00095800  1
  Ti  Ti80  1  0.66231500  0.92645400  0.83204000  1
  Ti  Ti81  1  0.66272400  0.40006700  0.83115800  1
  Ti  Ti82  1  0.99351200  0.26338700  0.50104400  1
  Ti  Ti83  1  0.25171500  0.24906700  0.74401800  1
  Ti  Ti84  1  0.99405500  0.73658200  0.49955000  1
  Ti  Ti85  1  0.07633600  0.83257600  0.66473900  1
  Ti  Ti86  1  0.33183800  0.83568700  0.91486000  1
  Ti  Ti87  1  0.32884600  0.59451900  0.16696200  1
  Ti  Ti88  1  0.32809100  0.06861900  0.16542600  1
  Ti  Ti89  1  0.41045700  0.16070800  0.33229200  1
  Ti  Ti90  1  0.99093900  0.49665500  0.24833000  1
  Ti  Ti91  1  0.65941400  0.16633400  0.58116600  1
  Ti  Ti92  1  0.40613900  0.41112600  0.58706000  1
  Ti  Ti93  1  0.91642500  0.91388300  0.07971400  1
  Ti  Ti94  1  0.74308700  0.49719500  0.99781700  1
  Ti  Ti95  1  0.74264700  0.74711000  0.25138100  1
  N  N96  1  0.66524000  0.16715500  0.82991800  1
  N  N97  1  0.32968800  0.33307600  0.66609000  1
  N  N98  1  0.57210600  0.84223900  0.90822000  1
  N  N99  1  0.80149600  0.55620500  0.91262800  1
  N  N100  1  0.42342100  0.39563500  0.82094200  1
  N  N101  1  0.17612100  0.68482700  0.84018600  1
  N  N102  1  0.67180900  0.67899200  0.32657400  1
  N  N103  1  0.90046700  0.17830400  0.57627700  1
  N  N104  1  0.14471400  0.89146600  0.58212800  1
  N  N105  1  0.23562100  0.00984400  0.74017100  1
  N  N106  1  0.32583800  0.06001100  0.91719600  1
  N  N107  1  0.07912500  0.61124200  0.66943700  1
  N  N108  1  0.26472100  0.75971900  0.99156200  1
  N  N109  1  0.03546700  0.25692500  0.74749600  1
  N  N110  1  0.09428100  0.33019800  0.91957000  1
  N  N111  1  0.77130900  0.74131500  0.49773600  1
  N  N112  1  0.85265000  0.82911700  0.66616900  1
  N  N113  1  0.51241100  0.01237100  0.50877900  1
  N  N114  1  0.23188100  0.50861500  0.24088500  1
  N  N115  1  0.63474700  0.39563700  0.58398200  1
  N  N116  1  0.47131200  0.22281500  0.24646200  1
  N  N117  1  0.56699900  0.31842600  0.40564300  1
  N  N118  1  0.88465700  0.91747300  0.83472800  1
  N  N119  1  0.41725800  0.93962500  0.33696100  1
  N  N120  1  0.59850900  0.08375300  0.65665700  1
  N  N121  1  0.34371800  0.59323600  0.41574900  1
  N  N122  1  0.09042000  0.06435200  0.15944400  1
  N  N123  1  0.51815600  0.77457600  0.75617300  1
  N  N124  1  0.42274300  0.63564100  0.58778400  1
  N  N125  1  0.74851100  0.48628800  0.76074300  1
  N  N126  1  0.18443000  0.16078800  0.33378400  1
  N  N127  1  0.84350800  0.34445000  0.17411300  1
  N  N128  1  0.98909600  0.99392200  0.00659000  1
  N  N129  1  0.90248500  0.67002400  0.07457000  1
  N  N130  1  0.23442000  0.26275000  0.51106400  1
  N  N131  1  0.97563000  0.72809500  0.24979100  1
  N  N132  1  0.75099200  0.27852400  0.00383800  1
  N  N133  1  0.92260200  0.41865100  0.32322800  1
  N  N134  1  0.75737400  0.97675700  0.25217000  1
  N  N135  1  0.69582200  0.92500700  0.08271600  1
  N  N136  1  0.85889000  0.11115500  0.42670900  1
  N  N137  1  0.07598800  0.82606600  0.42860200  1
  N  N138  1  0.99185100  0.49569700  0.49915000  1
  N  N139  1  0.52066300  0.49472600  0.00091900  1
  N  N140  1  0.56721700  0.59569400  0.17341600  1
  N  N141  1  0.19288800  0.44367500  0.09258800  1
  N  N142  1  0.41279000  0.15739800  0.09541500  1
  N  N143  1  0.33092900  0.83189100  0.16542100  1
