data_[Ni8S32N32]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.9801]
_cell_length_b [14.7369]
_cell_length_c [8.5315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ni(SN)4]
_chemical_formula_sum '[Ni8 S32 N32]'
_cell_volume [1631.7734]
_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  4  0.1377  0.1239  0.8025  1
  Ni  Ni1  4  0.3638  0.6269  0.1281  1
  S  S2  4  0.0215  0.6301  0.7547  1
  S  S3  4  0.0814  0.1276  0.4724  1
  S  S4  4  0.0938  0.1084  0.0380  1
  S  S5  4  0.1992  0.6351  0.3555  1
  S  S6  4  0.3004  0.1291  0.0395  1
  S  S7  4  0.4056  0.6153  0.3683  1
  S  S8  4  0.4205  0.6225  0.7996  1
  S  S9  4  0.4776  0.1366  0.4230  1
  N  N10  4  0.0301  0.6334  0.9442  1
  N  N11  4  0.1706  0.1239  0.5935  1
  N  N12  4  0.1991  0.1121  0.1445  1
  N  N13  4  0.2278  0.6379  0.1813  1
  N  N14  4  0.2739  0.1338  0.8633  1
  N  N15  4  0.2995  0.6198  0.4684  1
  N  N16  4  0.3314  0.6194  0.9172  1
  N  N17  4  0.4684  0.1341  0.6124  1
]