# generated using pymatgen
data_LiCr3Ni(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28422600
_cell_length_b   8.30008340
_cell_length_c   8.85890223
_cell_angle_alpha   62.12890399
_cell_angle_beta   62.33770243
_cell_angle_gamma   60.24231399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr3Ni(SO4)6
_chemical_formula_sum   'Li1 Cr3 Ni1 S6 O24'
_cell_volume   445.55197088
_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  0.76652800  0.42423600  0.62637400  1
  Cr  Cr1  1  0.35385700  0.35125100  0.93712100  1
  Cr  Cr2  1  0.64231500  0.64483200  0.06894300  1
  Cr  Cr3  1  0.85066900  0.85309800  0.44957500  1
  Ni  Ni4  1  0.16004200  0.14618500  0.54382800  1
  S  S5  1  0.03782300  0.46662700  0.74894100  1
  S  S6  1  0.53842500  0.25351900  0.25154000  1
  S  S7  1  0.25423800  0.95541500  0.25196800  1
  S  S8  1  0.75074800  0.03710800  0.74869100  1
  S  S9  1  0.46090500  0.74747500  0.75169400  1
  S  S10  1  0.95677100  0.54235600  0.24982000  1
  O  O11  1  0.30070800  0.10548400  0.07731700  1
  O  O12  1  0.10800500  0.50922800  0.08186700  1
  O  O13  1  0.00346400  0.33761800  0.70354400  1
  O  O14  1  0.02515200  0.65781800  0.60420300  1
  O  O15  1  0.35026600  0.28661800  0.39179500  1
  O  O16  1  0.04737300  0.98505700  0.29322300  1
  O  O17  1  0.51605100  0.29997900  0.07646000  1
  O  O18  1  0.23567600  0.37663200  0.76708800  1
  O  O19  1  0.67440500  0.04769400  0.29456400  1
  O  O20  1  0.38088300  0.75907400  0.23007200  1
  O  O21  1  0.62962700  0.38172400  0.22937100  1
  O  O22  1  0.28816100  0.96895600  0.39302400  1
  O  O23  1  0.71404700  0.02520500  0.60520800  1
  O  O24  1  0.38298600  0.61151200  0.76665900  1
  O  O25  1  0.62045200  0.24044200  0.76356100  1
  O  O26  1  0.33349500  0.94959700  0.70514200  1
  O  O27  1  0.76004200  0.63122700  0.22879400  1
  O  O28  1  0.49053900  0.69328100  0.92296500  1
  O  O29  1  0.95211800  0.01356300  0.70600000  1
  O  O30  1  0.65780700  0.70888800  0.60679400  1
  O  O31  1  0.96259700  0.35712400  0.40095200  1
  O  O32  1  0.98480100  0.67820300  0.29167100  1
  O  O33  1  0.89184600  0.49363200  0.92139700  1
  O  O34  1  0.69137800  0.89644100  0.92243600  1
