data_[Ni2Ag2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.7750]
_cell_length_b [4.0372]
_cell_length_c [8.4501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [NiAgS4]
_chemical_formula_sum '[Ni2 Ag2 S8]'
_cell_volume [231.4057]
_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
[
  Ni  Ni0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  2  0.5000  0.4509  0.2500  1.0
  S  S2  4  0.1932  0.3247  0.9478  1.0
  S  S3  4  0.2597  0.0814  0.7671  1.0
]