# generated using pymatgen
data_Li2Ti4Ni(PO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32797200
_cell_length_b   7.44625000
_cell_length_c   12.91417414
_cell_angle_alpha   89.86444221
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti4Ni(PO5)4
_chemical_formula_sum   'Li4 Ti8 Ni2 P8 O40'
_cell_volume   704.67171127
_cell_formula_units_Z   2
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  0.00764300  0.99164400  0.24650100  1
  Li  Li1  1  0.49235700  0.49164400  0.74650100  1
  Li  Li2  1  0.99235700  0.00835600  0.75349900  1
  Li  Li3  1  0.50764300  0.50835600  0.25349900  1
  Ti  Ti4  1  0.78784500  0.33464100  0.12654000  1
  Ti  Ti5  1  0.73303800  0.84114300  0.11828600  1
  Ti  Ti6  1  0.26696200  0.15885700  0.88171400  1
  Ti  Ti7  1  0.21215500  0.66535900  0.87346000  1
  Ti  Ti8  1  0.76696200  0.34114300  0.61828600  1
  Ti  Ti9  1  0.71215500  0.83464100  0.62654000  1
  Ti  Ti10  1  0.28784500  0.16535900  0.37346000  1
  Ti  Ti11  1  0.23303800  0.65885700  0.38171400  1
  Ni  Ni12  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni13  1  0.00000000  0.00000000  0.50000000  1
  P  P14  1  0.37600200  0.12559300  0.12453600  1
  P  P15  1  0.13131600  0.62589000  0.12856400  1
  P  P16  1  0.86868400  0.37411000  0.87143600  1
  P  P17  1  0.62399800  0.87440700  0.87546400  1
  P  P18  1  0.36868400  0.12589000  0.62856400  1
  P  P19  1  0.12399800  0.62559300  0.62453600  1
  P  P20  1  0.87600200  0.37440700  0.37546400  1
  P  P21  1  0.63131600  0.87411000  0.37143600  1
  O  O22  1  0.25398100  0.12341000  0.22223600  1
  O  O23  1  0.25740500  0.63148800  0.22330700  1
  O  O24  1  0.84157900  0.11185400  0.13226900  1
  O  O25  1  0.02185400  0.44781300  0.12495500  1
  O  O26  1  0.65263600  0.61391000  0.11576500  1
  O  O27  1  0.49676800  0.95700000  0.12486500  1
  O  O28  1  0.49857600  0.30039200  0.12266400  1
  O  O29  1  0.00110800  0.78860100  0.12989800  1
  O  O30  1  0.25096600  0.12702100  0.02949000  1
  O  O31  1  0.25498700  0.63246700  0.02969900  1
  O  O32  1  0.74501300  0.36753300  0.97030100  1
  O  O33  1  0.74903400  0.87297900  0.97051000  1
  O  O34  1  0.99889200  0.21139900  0.87010200  1
  O  O35  1  0.50142400  0.69960800  0.87733600  1
  O  O36  1  0.50323200  0.04300000  0.87513500  1
  O  O37  1  0.34736400  0.38609000  0.88423500  1
  O  O38  1  0.97814600  0.55218700  0.87504500  1
  O  O39  1  0.15842100  0.88814600  0.86773100  1
  O  O40  1  0.74259500  0.36851200  0.77669300  1
  O  O41  1  0.74601900  0.87659000  0.77776400  1
  O  O42  1  0.24259500  0.13148800  0.72330700  1
  O  O43  1  0.24601900  0.62341000  0.72223600  1
  O  O44  1  0.84736400  0.11391000  0.61576500  1
  O  O45  1  0.00323200  0.45700000  0.62486500  1
  O  O46  1  0.65842100  0.61185400  0.63226900  1
  O  O47  1  0.47814600  0.94781300  0.62495500  1
  O  O48  1  0.49889200  0.28860100  0.62989800  1
  O  O49  1  0.00142400  0.80039200  0.62266400  1
  O  O50  1  0.24501300  0.13246700  0.52969900  1
  O  O51  1  0.24903400  0.62702100  0.52949000  1
  O  O52  1  0.75096600  0.37297900  0.47051000  1
  O  O53  1  0.75498700  0.86753300  0.47030100  1
  O  O54  1  0.99857600  0.19960800  0.37733600  1
  O  O55  1  0.50110800  0.71139900  0.37010200  1
  O  O56  1  0.52185400  0.05218700  0.37504500  1
  O  O57  1  0.34157900  0.38814600  0.36773100  1
  O  O58  1  0.99676800  0.54300000  0.37513500  1
  O  O59  1  0.15263600  0.88609000  0.38423500  1
  O  O60  1  0.75398100  0.37659000  0.27776400  1
  O  O61  1  0.75740500  0.86851200  0.27669300  1
