data_[Nb4Fe2Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6925]
_cell_length_b [10.5103]
_cell_length_c [7.5993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5274]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb2Fe(AgS3)2]
_chemical_formula_sum '[Nb4 Fe2 Ag4 S12]'
_cell_volume [445.4935]
_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
[
  Nb  Nb0  4  0.0000  0.3656  0.5000  1
  Fe  Fe1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  4  0.0000  0.1471  0.0000  1
  S  S3  8  0.0944  0.1632  0.3211  1
  S  S4  4  0.1349  0.5000  0.2815  1
]