data_[Na4Nb2Ni4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2210]
_cell_length_b [3.5197]
_cell_length_c [7.1018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Nb(NiS2)2]
_chemical_formula_sum '[Na4 Nb2 Ni4 S8]'
_cell_volume [310.4212]
_cell_formula_units_Z [2]
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
[
  Na  Na0  4  0.1343  0.0000  0.5591  1
  Nb  Nb1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  4  0.1713  0.5000  0.9865  1
  S  S3  4  0.0107  0.5000  0.7494  1
  S  S4  4  0.2037  0.0000  0.1881  1
]