data_[Nb2V4Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  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 [5.7123]
_cell_length_b [10.1270]
_cell_length_c [7.8147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbV2(AgS3)2]
_chemical_formula_sum '[Nb2 V4 Ag4 S12]'
_cell_volume [437.1341]
_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  2  0.0000  0.5000  0.5000  1
  V  V1  4  0.0000  0.1341  0.5000  1
  Ag  Ag2  4  0.0000  0.3113  0.0000  1
  S  S3  8  0.1106  0.3224  0.3170  1
  S  S4  4  0.0887  0.0000  0.2890  1
]