# generated using pymatgen
data_LiCr(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32109300
_cell_length_b   8.33027210
_cell_length_c   8.90489438
_cell_angle_alpha   90.18649432
_cell_angle_beta   117.65107965
_cell_angle_gamma   119.87063629
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr(SO4)2
_chemical_formula_sum   'Li3 Cr3 S6 O24'
_cell_volume   451.51304933
_cell_formula_units_Z   3
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  0.67632900  0.84280600  0.54112500  1
  Li  Li1  1  0.04102900  0.22200600  0.62762000  1
  Li  Li2  1  0.80920200  0.58769300  0.62742800  1
  Cr  Cr3  1  0.29568700  0.65096100  0.94276700  1
  Cr  Cr4  1  0.71526600  0.35691700  0.07008600  1
  Cr  Cr5  1  0.29790500  0.14597900  0.44683900  1
  S  S6  1  0.49640800  0.53322600  0.75202900  1
  S  S7  1  0.78811800  0.25173400  0.75101200  1
  S  S8  1  0.21925100  0.96678700  0.74941900  1
  S  S9  1  0.79484100  0.04598200  0.25129900  1
  S  S10  1  0.20728600  0.74532100  0.25158800  1
  S  S11  1  0.50249000  0.45746800  0.25082000  1
  O  O12  1  0.38213700  0.48958000  0.08182200  1
  O  O13  1  0.59373000  0.89471700  0.08267500  1
  O  O14  1  0.65001900  0.65434100  0.70079300  1
  O  O15  1  0.17890900  0.69940600  0.07383700  1
  O  O16  1  0.31003700  0.33678600  0.60802600  1
  O  O17  1  0.38462800  0.61926300  0.77006700  1
  O  O18  1  0.00648000  0.38612100  0.76563900  1
  O  O19  1  0.71753400  0.05318400  0.70088000  1
  O  O20  1  0.13995500  0.76372500  0.76542500  1
  O  O21  1  0.97021300  0.01590000  0.28762300  1
  O  O22  1  0.76226600  0.03868800  0.40030600  1
  O  O23  1  0.36232300  0.71428400  0.38783600  1
  O  O24  1  0.63608600  0.29685100  0.60912500  1
  O  O25  1  0.26697800  0.97581100  0.60613100  1
  O  O26  1  0.04531600  0.99703300  0.70441600  1
  O  O27  1  0.86304100  0.24115200  0.22588900  1
  O  O28  1  0.27504100  0.95168500  0.29141400  1
  O  O29  1  0.98627600  0.61951500  0.22717300  1
  O  O30  1  0.60401900  0.36359500  0.22426200  1
  O  O31  1  0.67628900  0.63903900  0.39910600  1
  O  O32  1  0.82016100  0.31238200  0.92282300  1
  O  O33  1  0.33626900  0.31843000  0.28943100  1
  O  O34  1  0.41968100  0.10384400  0.92224800  1
  O  O35  1  0.61019900  0.50259000  0.92222100  1
