# generated using pymatgen
data_LiMgAl3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29735600
_cell_length_b   8.67471632
_cell_length_c   12.01602294
_cell_angle_alpha   93.68541295
_cell_angle_beta   90.14246209
_cell_angle_gamma   90.19320079
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgAl3(SO4)6
_chemical_formula_sum   'Li2 Mg2 Al6 S12 O48'
_cell_volume   863.08316915
_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  0.34867100  0.72667800  0.08488900  1
  Li  Li1  1  0.65132900  0.27332200  0.91511100  1
  Mg  Mg2  1  0.50098300  0.78309200  0.85387600  1
  Mg  Mg3  1  0.49901700  0.21690800  0.14612400  1
  Al  Al4  1  0.99501700  0.70573000  0.15326900  1
  Al  Al5  1  0.99615000  0.28553100  0.35576200  1
  Al  Al6  1  0.49979400  0.20057500  0.64228400  1
  Al  Al7  1  0.00385000  0.71446900  0.64423800  1
  Al  Al8  1  0.50020600  0.79942500  0.35771600  1
  Al  Al9  1  0.00498300  0.29427000  0.84673100  1
  S  S10  1  0.14551500  0.35804200  0.60352800  1
  S  S11  1  0.20710600  0.00061400  0.25205400  1
  S  S12  1  0.35075300  0.85570600  0.60226000  1
  S  S13  1  0.64631500  0.85210300  0.10983700  1
  S  S14  1  0.13331300  0.64434000  0.89693000  1
  S  S15  1  0.71244800  0.49221900  0.74651100  1
  S  S16  1  0.28755200  0.50778100  0.25348900  1
  S  S17  1  0.86668700  0.35566000  0.10307000  1
  S  S18  1  0.35368500  0.14789700  0.89016300  1
  S  S19  1  0.64924700  0.14429400  0.39774000  1
  S  S20  1  0.79289400  0.99938600  0.74794600  1
  S  S21  1  0.85448500  0.64195800  0.39647200  1
  O  O22  1  0.18267600  0.39963900  0.30987500  1
  O  O23  1  0.32031500  0.34025700  0.62376200  1
  O  O24  1  0.04874300  0.28809700  0.69138300  1
  O  O25  1  0.10029100  0.27685400  0.49619300  1
  O  O26  1  0.07622300  0.08196300  0.31510500  1
  O  O27  1  0.36149200  0.02750700  0.61524200  1
  O  O28  1  0.38356500  0.98494200  0.90350900  1
  O  O29  1  0.31016400  0.92580100  0.33408200  1
  O  O30  1  0.13628200  0.87933300  0.17031900  1
  O  O31  1  0.70262900  0.89479200  0.81456100  1
  O  O32  1  0.17860600  0.81765400  0.58074300  1
  O  O33  1  0.45027800  0.79741600  0.50658500  1
  O  O34  1  0.81881900  0.83386200  0.13597700  1
  O  O35  1  0.40827600  0.78267700  0.70017400  1
  O  O36  1  0.54087000  0.79234400  0.20158900  1
  O  O37  1  0.59475200  0.75424500  0.01157300  1
  O  O38  1  0.08757500  0.71795200  0.79408400  1
  O  O39  1  0.02731200  0.70274100  0.98923200  1
  O  O40  1  0.30194700  0.68344900  0.92745100  1
  O  O41  1  0.58597700  0.56894900  0.81173100  1
  O  O42  1  0.35553300  0.62109900  0.33843900  1
  O  O43  1  0.19038900  0.59296500  0.16917600  1
  O  O44  1  0.11122800  0.52504700  0.60182500  1
  O  O45  1  0.87335600  0.52652100  0.12015100  1
  O  O46  1  0.12664400  0.47347900  0.87984900  1
  O  O47  1  0.88877200  0.47495300  0.39817500  1
  O  O48  1  0.80961100  0.40703500  0.83082400  1
  O  O49  1  0.64446700  0.37890100  0.66156100  1
  O  O50  1  0.41402300  0.43105100  0.18826900  1
  O  O51  1  0.69805300  0.31655100  0.07254900  1
  O  O52  1  0.97268800  0.29725900  0.01076800  1
  O  O53  1  0.91242500  0.28204800  0.20591600  1
  O  O54  1  0.40524800  0.24575500  0.98842700  1
  O  O55  1  0.45913000  0.20765600  0.79841100  1
  O  O56  1  0.59172400  0.21732300  0.29982600  1
  O  O57  1  0.18118100  0.16613800  0.86402300  1
  O  O58  1  0.54972200  0.20258400  0.49341500  1
  O  O59  1  0.82139400  0.18234600  0.41925700  1
  O  O60  1  0.29737100  0.10520800  0.18543900  1
  O  O61  1  0.86371800  0.12066700  0.82968100  1
  O  O62  1  0.68983600  0.07419900  0.66591800  1
  O  O63  1  0.61643500  0.01505800  0.09649100  1
  O  O64  1  0.63850800  0.97249300  0.38475800  1
  O  O65  1  0.92377700  0.91803700  0.68489500  1
  O  O66  1  0.89970900  0.72314600  0.50380700  1
  O  O67  1  0.95125700  0.71190300  0.30861700  1
  O  O68  1  0.67968500  0.65974300  0.37623800  1
  O  O69  1  0.81732400  0.60036100  0.69012500  1
