# generated using pymatgen
data_ZnCr3(SO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88010251
_cell_length_b   8.88010251
_cell_length_c   8.88010361
_cell_angle_alpha   55.85042966
_cell_angle_beta   55.85042966
_cell_angle_gamma   55.85042897
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr3(SO4)6
_chemical_formula_sum   'Zn1 Cr3 S6 O24'
_cell_volume   447.51990100
_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
  Zn  Zn0  1  0.85125400  0.85125400  0.85125400  1.0
  Cr  Cr1  1  0.64469900  0.64469900  0.64469900  1.0
  Cr  Cr2  1  0.35551000  0.35551000  0.35551000  1.0
  Cr  Cr3  1  0.15053000  0.15053000  0.15053000  1.0
  S  S4  1  0.25418000  0.53416000  0.96114100  1.0
  S  S5  1  0.04305000  0.74622700  0.46138900  1.0
  S  S6  1  0.46138900  0.04305000  0.74622700  1.0
  S  S7  1  0.53416000  0.96114100  0.25418000  1.0
  S  S8  1  0.96114100  0.25418000  0.53416000  1.0
  S  S9  1  0.74622700  0.46138900  0.04305000  1.0
  O  O10  1  0.48424400  0.89152900  0.70202900  1.0
  O  O11  1  0.70202900  0.48424400  0.89152900  1.0
  O  O12  1  0.05131300  0.66718600  0.99160100  1.0
  O  O13  1  0.28608500  0.34246300  0.97633200  1.0
  O  O14  1  0.03215600  0.71153500  0.64915300  1.0
  O  O15  1  0.32474300  0.01834300  0.95133700  1.0
  O  O16  1  0.89152900  0.70202900  0.48424400  1.0
  O  O17  1  0.38625700  0.61721900  0.76432300  1.0
  O  O18  1  0.01834300  0.95133700  0.32474300  1.0
  O  O19  1  0.37029700  0.23955100  0.61724000  1.0
  O  O20  1  0.23955100  0.61724000  0.37029700  1.0
  O  O21  1  0.64915300  0.03215600  0.71153500  1.0
  O  O22  1  0.34246300  0.97633200  0.28608500  1.0
  O  O23  1  0.76432300  0.38625700  0.61721900  1.0
  O  O24  1  0.61721900  0.76432300  0.38625700  1.0
  O  O25  1  0.99160100  0.05131300  0.66718600  1.0
  O  O26  1  0.61724000  0.37029700  0.23955100  1.0
  O  O27  1  0.10735100  0.31028600  0.50528200  1.0
  O  O28  1  0.66718600  0.99160100  0.05131300  1.0
  O  O29  1  0.97633200  0.28608500  0.34246300  1.0
  O  O30  1  0.71153500  0.64915300  0.03215600  1.0
  O  O31  1  0.95133700  0.32474300  0.01834300  1.0
  O  O32  1  0.31028600  0.50528200  0.10735100  1.0
  O  O33  1  0.50528200  0.10735100  0.31028600  1.0