# generated using pymatgen
data_LiMgCr3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.35178900
_cell_length_b   8.86981377
_cell_length_c   12.18108042
_cell_angle_alpha   84.78941031
_cell_angle_beta   89.86191894
_cell_angle_gamma   89.82206901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgCr3(SO4)6
_chemical_formula_sum   'Li2 Mg2 Cr6 S12 O48'
_cell_volume   898.62470988
_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  0.66346600  0.27896300  0.09512600  1
  Li  Li1  1  0.33653400  0.72103700  0.90487400  1
  Mg  Mg2  1  0.49886300  0.21363400  0.85417500  1
  Mg  Mg3  1  0.50113700  0.78636600  0.14582500  1
  Cr  Cr4  1  0.00554000  0.30191600  0.15352600  1
  Cr  Cr5  1  0.00257100  0.71367900  0.35601100  1
  Cr  Cr6  1  0.50047400  0.80454100  0.64887500  1
  Cr  Cr7  1  0.49952600  0.19545900  0.35112500  1
  Cr  Cr8  1  0.99742900  0.28632100  0.64398900  1
  Cr  Cr9  1  0.99446000  0.69808400  0.84647400  1
  S  S10  1  0.85667600  0.64629800  0.60442500  1
  S  S11  1  0.79021300  0.99942000  0.25285300  1
  S  S12  1  0.64781000  0.14378900  0.60438500  1
  S  S13  1  0.35362300  0.14706700  0.10441200  1
  S  S14  1  0.85731800  0.35730000  0.89660400  1
  S  S15  1  0.29085100  0.50141100  0.74887200  1
  S  S16  1  0.70914900  0.49858900  0.25112800  1
  S  S17  1  0.14268200  0.64270000  0.10339600  1
  S  S18  1  0.64637700  0.85293300  0.89558800  1
  S  S19  1  0.35219000  0.85621100  0.39561500  1
  S  S20  1  0.20978700  0.00058000  0.74714700  1
  S  S21  1  0.14332400  0.35370200  0.39557500  1
  O  O22  1  0.80213200  0.60796400  0.30867300  1
  O  O23  1  0.68743900  0.65649100  0.63868100  1
  O  O24  1  0.96658900  0.71099800  0.68433100  1
  O  O25  1  0.88194300  0.73527100  0.49713900  1
  O  O26  1  0.93297000  0.92946100  0.30855600  1
  O  O27  1  0.65483600  0.97471000  0.62571200  1
  O  O28  1  0.68897700  0.05893100  0.34031300  1
  O  O29  1  0.60880300  0.01186600  0.90434400  1
  O  O30  1  0.84234400  0.12948500  0.17144700  1
  O  O31  1  0.29588300  0.10643400  0.80961100  1
  O  O32  1  0.53415600  0.18959900  0.51381700  1
  O  O33  1  0.81285300  0.19174600  0.57071800  1
  O  O34  1  0.18609000  0.15632200  0.14371700  1
  O  O35  1  0.59628600  0.21482000  0.70167500  1
  O  O36  1  0.46918000  0.21221800  0.18604000  1
  O  O37  1  0.38191500  0.24204100  0.00143400  1
  O  O38  1  0.90271900  0.28409800  0.79716700  1
  O  O39  1  0.69516000  0.30781800  0.93394900  1
  O  O40  1  0.97465000  0.31206200  0.98490700  1
  O  O41  1  0.42749800  0.43064900  0.80728600  1
  O  O42  1  0.65876900  0.37300100  0.33204000  1
  O  O43  1  0.89411800  0.48526800  0.59416000  1
  O  O44  1  0.81090900  0.43493900  0.16133600  1
  O  O45  1  0.15303000  0.47523100  0.12823800  1
  O  O46  1  0.84697000  0.52476900  0.87176200  1
  O  O47  1  0.18909100  0.56506100  0.83866400  1
  O  O48  1  0.10588200  0.51473200  0.40584000  1
  O  O49  1  0.34123100  0.62699900  0.66796000  1
  O  O50  1  0.57250200  0.56935100  0.19271400  1
  O  O51  1  0.02535000  0.68793800  0.01509300  1
  O  O52  1  0.30484000  0.69218200  0.06605100  1
  O  O53  1  0.09728100  0.71590200  0.20283300  1
  O  O54  1  0.61808500  0.75795900  0.99856600  1
  O  O55  1  0.53082000  0.78778200  0.81396000  1
  O  O56  1  0.40371400  0.78518000  0.29832500  1
  O  O57  1  0.81391000  0.84367800  0.85628300  1
  O  O58  1  0.18714700  0.80825400  0.42928200  1
  O  O59  1  0.46584400  0.81040100  0.48618300  1
  O  O60  1  0.70411700  0.89356600  0.19038900  1
  O  O61  1  0.15765600  0.87051500  0.82855300  1
  O  O62  1  0.39119700  0.98813400  0.09565600  1
  O  O63  1  0.31102300  0.94106900  0.65968700  1
  O  O64  1  0.34516400  0.02529000  0.37428800  1
  O  O65  1  0.06703000  0.07053900  0.69144400  1
  O  O66  1  0.11805700  0.26472900  0.50286100  1
  O  O67  1  0.03341100  0.28900200  0.31566900  1
  O  O68  1  0.31256100  0.34350900  0.36131900  1
  O  O69  1  0.19786800  0.39203600  0.69132700  1
