# generated using pymatgen
data_Zn(NiS2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72293510
_cell_length_b   6.72293510
_cell_length_c   17.36921815
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(NiS2)4
_chemical_formula_sum   'Zn3 Ni12 S24'
_cell_volume   679.87447907
_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
  Zn  Zn0  1  0.33333300  0.66666700  0.16666700  1
  Zn  Zn1  1  0.00000000  0.00000000  0.50000000  1
  Zn  Zn2  1  0.66666700  0.33333300  0.83333300  1
  Ni  Ni3  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni4  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni5  1  0.50000000  0.00000000  0.00000000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni7  1  0.16666700  0.83333300  0.33333300  1
  Ni  Ni8  1  0.66666700  0.83333300  0.33333300  1
  Ni  Ni9  1  0.16666700  0.33333300  0.33333300  1
  Ni  Ni10  1  0.66666700  0.33333300  0.33333300  1
  Ni  Ni11  1  0.83333300  0.16666700  0.66666700  1
  Ni  Ni12  1  0.33333300  0.16666700  0.66666700  1
  Ni  Ni13  1  0.83333300  0.66666700  0.66666700  1
  Ni  Ni14  1  0.33333300  0.66666700  0.66666700  1
  S  S15  1  0.49572600  0.50427400  0.26352900  1
  S  S16  1  0.17094100  0.34188200  0.06980400  1
  S  S17  1  0.17094100  0.82905900  0.06980400  1
  S  S18  1  0.65811800  0.82905900  0.06980400  1
  S  S19  1  0.00000000  0.00000000  0.26525300  1
  S  S20  1  0.66666700  0.33333300  0.06808000  1
  S  S21  1  0.00854900  0.50427400  0.26352900  1
  S  S22  1  0.49572600  0.99145100  0.26352900  1
  S  S23  1  0.16239200  0.83760800  0.59686200  1
  S  S24  1  0.83760800  0.67521600  0.40313800  1
  S  S25  1  0.83760800  0.16239200  0.40313800  1
  S  S26  1  0.32478400  0.16239200  0.40313800  1
  S  S27  1  0.66666700  0.33333300  0.59858600  1
  S  S28  1  0.33333300  0.66666700  0.40141400  1
  S  S29  1  0.67521600  0.83760800  0.59686200  1
  S  S30  1  0.16239200  0.32478400  0.59686200  1
  S  S31  1  0.82905900  0.17094100  0.93019600  1
  S  S32  1  0.50427400  0.00854900  0.73647100  1
  S  S33  1  0.50427400  0.49572600  0.73647100  1
  S  S34  1  0.99145100  0.49572600  0.73647100  1
  S  S35  1  0.33333300  0.66666700  0.93192000  1
  S  S36  1  0.00000000  0.00000000  0.73474700  1
  S  S37  1  0.34188200  0.17094100  0.93019600  1
  S  S38  1  0.82905900  0.65811800  0.93019600  1
