# generated using pymatgen
data_Cr3Ni(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84288556
_cell_length_b   8.84288556
_cell_length_c   8.84288579
_cell_angle_alpha   55.93831138
_cell_angle_beta   55.93831138
_cell_angle_gamma   55.93831890
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Ni(SO4)6
_chemical_formula_sum   'Cr3 Ni1 S6 O24'
_cell_volume   442.93094883
_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
  Cr  Cr0  1  0.35590900  0.35590900  0.35590900  1.0
  Cr  Cr1  1  0.64427100  0.64427100  0.64427100  1.0
  Cr  Cr2  1  0.84940200  0.84940200  0.84940200  1.0
  Ni  Ni3  1  0.14996700  0.14996700  0.14996700  1.0
  S  S4  1  0.74808300  0.04002600  0.46365900  1.0
  S  S5  1  0.95777500  0.53766700  0.25260300  1.0
  S  S6  1  0.53766700  0.25260300  0.95777500  1.0
  S  S7  1  0.46365900  0.74808300  0.04002500  1.0
  S  S8  1  0.04002500  0.46365900  0.74808300  1.0
  S  S9  1  0.25260300  0.95777500  0.53766700  1.0
  O  O10  1  0.51515900  0.29909500  0.10784200  1.0
  O  O11  1  0.29909500  0.10784200  0.51515900  1.0
  O  O12  1  0.95135800  0.01044300  0.33026000  1.0
  O  O13  1  0.71504200  0.02392400  0.65692300  1.0
  O  O14  1  0.96963600  0.34924000  0.28577800  1.0
  O  O15  1  0.67466400  0.04679700  0.98384200  1.0
  O  O16  1  0.10784200  0.51515900  0.29909500  1.0
  O  O17  1  0.61562000  0.23786200  0.38138900  1.0
  O  O18  1  0.98384200  0.67466400  0.04679700  1.0
  O  O19  1  0.62713200  0.38191300  0.75941700  1.0
  O  O20  1  0.75941700  0.62713200  0.38191300  1.0
  O  O21  1  0.34924000  0.28577800  0.96963600  1.0
  O  O22  1  0.65692300  0.71504200  0.02392400  1.0
  O  O23  1  0.23786200  0.38138900  0.61562000  1.0
  O  O24  1  0.38138900  0.61562000  0.23786200  1.0
  O  O25  1  0.01044300  0.33026000  0.95135800  1.0
  O  O26  1  0.38191300  0.75941700  0.62713200  1.0
  O  O27  1  0.89257600  0.49141700  0.69329900  1.0
  O  O28  1  0.33026000  0.95135800  0.01044300  1.0
  O  O29  1  0.02392400  0.65692300  0.71504200  1.0
  O  O30  1  0.28577800  0.96963600  0.34924000  1.0
  O  O31  1  0.04679700  0.98384200  0.67466400  1.0
  O  O32  1  0.69329900  0.89257600  0.49141700  1.0
  O  O33  1  0.49141700  0.69329900  0.89257600  1.0