data_[Ni8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [18.5716]
_cell_length_b [7.1477]
_cell_length_c [5.7985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [NiS]
_chemical_formula_sum '[Ni8 S8]'
_cell_volume [769.7197]
_cell_formula_units_Z [8]
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  2  0.4591  0.3359  0.4748  1
  Ni  Ni1  2  0.4611  0.1464  0.0992  1
  Ni  Ni2  2  0.5370  0.1355  0.7176  1
  Ni  Ni3  2  0.5461  0.4170  0.1477  1
  S  S4  2  0.4140  0.4208  0.1506  1
  S  S5  2  0.4172  0.1228  0.7325  1
  S  S6  2  0.5595  0.1517  0.3426  1
  S  S7  2  0.6064  0.3651  0.8332  1
]