# generated using pymatgen
data_Zn(NiS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97044034
_cell_length_b   6.97044034
_cell_length_c   6.97044045
_cell_angle_alpha   57.66440224
_cell_angle_beta   57.66440224
_cell_angle_gamma   57.66440899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(NiS2)4
_chemical_formula_sum   'Zn1 Ni4 S8'
_cell_volume   226.62486627
_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  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni1  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni2  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1.0
  S  S5  1  0.27207800  0.75925400  0.75925400  1.0
  S  S6  1  0.24074600  0.24074600  0.72792200  1.0
  S  S7  1  0.72792200  0.24074600  0.24074600  1.0
  S  S8  1  0.24074600  0.72792200  0.24074600  1.0
  S  S9  1  0.26525300  0.26525300  0.26525300  1.0
  S  S10  1  0.73474700  0.73474700  0.73474700  1.0
  S  S11  1  0.75925400  0.27207800  0.75925400  1.0
  S  S12  1  0.75925400  0.75925400  0.27207800  1.0