# generated using pymatgen
data_LiMgCr7(SO4)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85474782
_cell_length_b   8.84715128
_cell_length_c   17.69215825
_cell_angle_alpha   55.68908754
_cell_angle_beta   55.71465675
_cell_angle_gamma   55.64606763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgCr7(SO4)12
_chemical_formula_sum   'Li1 Mg1 Cr7 S12 O48'
_cell_volume   881.89461216
_cell_formula_units_Z   1
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  0.75417900  0.18487400  0.71610800  1
  Mg  Mg1  1  0.35575900  0.36214100  0.67536300  1
  Cr  Cr2  1  0.15028400  0.15064300  0.07752700  1
  Cr  Cr3  1  0.35580900  0.35481100  0.17788000  1
  Cr  Cr4  1  0.16088500  0.15221100  0.57309900  1
  Cr  Cr5  1  0.64401300  0.64380500  0.32271700  1
  Cr  Cr6  1  0.85096200  0.84915700  0.42287600  1
  Cr  Cr7  1  0.64396200  0.64399300  0.82224000  1
  Cr  Cr8  1  0.84898400  0.84347600  0.92717100  1
  S  S9  1  0.04091900  0.74823100  0.23078800  1
  S  S10  1  0.46431200  0.04018000  0.37366000  1
  S  S11  1  0.74915500  0.45984800  0.02084900  1
  S  S12  1  0.25354200  0.54105900  0.47683000  1
  S  S13  1  0.53666300  0.95853500  0.12692600  1
  S  S14  1  0.03864800  0.75254800  0.73187100  1
  S  S15  1  0.95945900  0.25212700  0.26888600  1
  S  S16  1  0.45784000  0.03791800  0.87753400  1
  S  S17  1  0.75883500  0.46128100  0.51744600  1
  S  S18  1  0.25245500  0.53605300  0.98011800  1
  S  S19  1  0.54290600  0.95653900  0.62525300  1
  S  S20  1  0.95745600  0.24867400  0.77208900  1
  O  O21  1  0.11140300  0.29733600  0.25630400  1
  O  O22  1  0.29962700  0.51148700  0.05528800  1
  O  O23  1  0.01711400  0.95409100  0.16229800  1
  O  O24  1  0.51388500  0.11059200  0.14871200  1
  O  O25  1  0.02598200  0.71735200  0.32653500  1
  O  O26  1  0.23783000  0.61440400  0.18892300  1
  O  O27  1  0.37943000  0.23731700  0.30725100  1
  O  O28  1  0.32880400  0.01607800  0.47685400  1
  O  O29  1  0.61489900  0.37708200  0.11920100  1
  O  O30  1  0.04683800  0.67587400  0.48739600  1
  O  O31  1  0.28686900  0.34668700  0.48474900  1
  O  O32  1  0.34286700  0.97554200  0.14399400  1
  O  O33  1  0.65709700  0.02418800  0.35710400  1
  O  O34  1  0.71694900  0.65230000  0.01342300  1
  O  O35  1  0.11048600  0.29453200  0.75393400  1
  O  O36  1  0.95474000  0.32293100  0.00958300  1
  O  O37  1  0.38674200  0.62360900  0.37705800  1
  O  O38  1  0.29472600  0.51750200  0.55234500  1
  O  O39  1  0.67136500  0.98139600  0.02386900  1
  O  O40  1  0.62229000  0.76125900  0.19298900  1
  O  O41  1  0.00219300  0.96690800  0.66746100  1
  O  O42  1  0.51817900  0.10713900  0.64690000  1
  O  O43  1  0.76237500  0.38514700  0.31101900  1
  O  O44  1  0.97447400  0.28488400  0.17252600  1
  O  O45  1  0.02284800  0.71732800  0.82907100  1
  O  O46  1  0.23361100  0.63068400  0.68645900  1
  O  O47  1  0.48788100  0.88790400  0.35173600  1
  O  O48  1  0.98368600  0.04619900  0.33662200  1
  O  O49  1  0.38376200  0.23360900  0.80962900  1
  O  O50  1  0.33005200  0.01022600  0.98111100  1
  O  O51  1  0.70475900  0.48411300  0.44541300  1
  O  O52  1  0.63260700  0.37331600  0.61794700  1
  O  O53  1  0.04627400  0.67262700  0.99289400  1
  O  O54  1  0.88850300  0.70270400  0.24406100  1
  O  O55  1  0.28312000  0.34341000  0.98864200  1
  O  O56  1  0.34946500  0.97363800  0.64008700  1
  O  O57  1  0.65837900  0.01927800  0.85812900  1
  O  O58  1  0.72175700  0.65597600  0.50919300  1
  O  O59  1  0.96669100  0.32857400  0.50264400  1
  O  O60  1  0.38497400  0.61966900  0.88114700  1
  O  O61  1  0.67999500  0.97617900  0.52234300  1
  O  O62  1  0.62271100  0.75615700  0.69299000  1
  O  O63  1  0.75779500  0.38300800  0.81248100  1
  O  O64  1  0.96476100  0.27456700  0.67718400  1
  O  O65  1  0.48322600  0.88475000  0.85571000  1
  O  O66  1  0.97827900  0.04332600  0.84100500  1
  O  O67  1  0.70544700  0.48534300  0.94420000  1
  O  O68  1  0.88522800  0.70867000  0.74435400  1
