# generated using pymatgen
data_LiZnCr3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88456982
_cell_length_b   8.90710700
_cell_length_c   17.82108825
_cell_angle_alpha   55.52645546
_cell_angle_beta   55.54216277
_cell_angle_gamma   55.67376603
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZnCr3(SO4)6
_chemical_formula_sum   'Li2 Zn2 Cr6 S12 O48'
_cell_volume   894.93355853
_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  0.58334700  0.22944500  0.41024300  1
  Li  Li1  1  0.81719800  0.57645200  0.61730400  1
  Zn  Zn2  1  0.14825200  0.13905500  0.57580400  1
  Zn  Zn3  1  0.86433100  0.84190000  0.41474700  1
  Cr  Cr4  1  0.15150000  0.15192200  0.07479600  1
  Cr  Cr5  1  0.35677800  0.35907700  0.17377100  1
  Cr  Cr6  1  0.35400600  0.35039100  0.68160400  1
  Cr  Cr7  1  0.64870300  0.65347200  0.31839000  1
  Cr  Cr8  1  0.64329600  0.64253300  0.82567300  1
  Cr  Cr9  1  0.84819200  0.84499700  0.92495400  1
  S  S10  1  0.04837800  0.74629000  0.22505100  1
  S  S11  1  0.45935200  0.04863800  0.36925100  1
  S  S12  1  0.74831400  0.46108700  0.02167800  1
  S  S13  1  0.25863200  0.53474500  0.48200600  1
  S  S14  1  0.53665800  0.96154400  0.12423300  1
  S  S15  1  0.03785200  0.73969600  0.73573200  1
  S  S16  1  0.96301700  0.25502700  0.26543000  1
  S  S17  1  0.46251600  0.03743500  0.87608100  1
  S  S18  1  0.74595900  0.45996700  0.52035200  1
  S  S19  1  0.25211900  0.53771300  0.97736500  1
  S  S20  1  0.53165700  0.96165500  0.62899600  1
  S  S21  1  0.95620500  0.25174300  0.77213300  1
  O  O22  1  0.10633300  0.31353600  0.25018200  1
  O  O23  1  0.30023000  0.51135900  0.05186400  1
  O  O24  1  0.02069500  0.95442400  0.16020400  1
  O  O25  1  0.51182000  0.11539800  0.14444400  1
  O  O26  1  0.03764200  0.70438400  0.32029400  1
  O  O27  1  0.24427700  0.62096400  0.17706200  1
  O  O28  1  0.36714600  0.24485500  0.30468100  1
  O  O29  1  0.32459400  0.01178400  0.47110700  1
  O  O30  1  0.61598400  0.37579800  0.12001600  1
  O  O31  1  0.04898500  0.65662600  0.49774200  1
  O  O32  1  0.30544100  0.34271600  0.48453200  1
  O  O33  1  0.34406800  0.97828500  0.14004500  1
  O  O34  1  0.64067300  0.04910000  0.35716800  1
  O  O35  1  0.71683000  0.65201100  0.01424600  1
  O  O36  1  0.11032200  0.28898300  0.76226600  1
  O  O37  1  0.95347200  0.32555400  0.00910000  1
  O  O38  1  0.38238300  0.63393400  0.38421000  1
  O  O39  1  0.30082600  0.50781300  0.55907000  1
  O  O40  1  0.67499500  0.97999600  0.02250400  1
  O  O41  1  0.61644300  0.76599000  0.19257300  1
  O  O42  1  0.00844100  0.94282200  0.66944200  1
  O  O43  1  0.50966200  0.10237000  0.65731000  1
  O  O44  1  0.76019000  0.38595100  0.31030100  1
  O  O45  1  0.97443400  0.28606200  0.17100600  1
  O  O46  1  0.02009400  0.70809300  0.83220900  1
  O  O47  1  0.23602800  0.60720700  0.69446800  1
  O  O48  1  0.50818000  0.90108500  0.33670700  1
  O  O49  1  0.98636400  0.05345500  0.33465700  1
  O  O50  1  0.38167700  0.23338900  0.80890800  1
  O  O51  1  0.32511000  0.01667200  0.97815800  1
  O  O52  1  0.69156300  0.50426300  0.44322700  1
  O  O53  1  0.61335100  0.37131000  0.61815400  1
  O  O54  1  0.04712900  0.67438700  0.98961300  1
  O  O55  1  0.89568900  0.70366800  0.23603800  1
  O  O56  1  0.28156800  0.34670700  0.98579000  1
  O  O57  1  0.34353900  0.96994400  0.64872700  1
  O  O58  1  0.65517800  0.01980500  0.86023100  1
  O  O59  1  0.71945700  0.64284700  0.51970400  1
  O  O60  1  0.94878300  0.32399300  0.50617700  1
  O  O61  1  0.38576800  0.62136200  0.87888100  1
  O  O62  1  0.66349900  0.99248000  0.52494700  1
  O  O63  1  0.63490400  0.75889800  0.68953000  1
  O  O64  1  0.75946400  0.38387700  0.81625500  1
  O  O65  1  0.96872500  0.29752000  0.67449700  1
  O  O66  1  0.48616500  0.88496300  0.85503400  1
  O  O67  1  0.97725300  0.04641300  0.83622200  1
  O  O68  1  0.69984900  0.48738900  0.94704900  1
  O  O69  1  0.89151300  0.68377200  0.74985800  1
