The material structure described by NiS2 crystallizes in the hexagonal P6/mmm space group. Ni(1) is bonded in a 14-coordinate geometry to two equivalent Ni(1) and twelve equivalent S(1) atoms. S(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1) and five equivalent S(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.360
_cell_length_b   4.360
_cell_length_c   2.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   42.270
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  S  S1  1  0.333  0.667  0.500  1.0
  S  S2  1  0.667  0.333  0.500  1.0
[/CIF]
.
The material structure described by NiS2 crystallizes in the hexagonal P6/mmm space group. Ni(1) is bonded in a 14-coordinate geometry to two equivalent Ni(1) and twelve equivalent S(1) atoms. S(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1) and five equivalent S(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.360
_cell_length_b   4.360
_cell_length_c   2.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   42.270
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  S  S1  1  0.333  0.667  0.500  1.0
  S  S2  1  0.667  0.333  0.500  1.0
[/CIF]
.