data_[Nb6Ag4Te2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.2992]
_cell_length_b [10.0076]
_cell_length_c [5.7943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nb3Ag2TeS6]
_chemical_formula_sum '[Nb6 Ag4 Te2 S12]'
_cell_volume [481.2424]
_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  0.5000  0.1693  0.1305  1.0
  Nb  Nb1  2  0.5000  0.0000  0.6224  1.0
  Ag  Ag2  4  0.0000  0.1738  0.5207  1.0
  Te  Te3  2  0.0000  0.0000  0.9521  1.0
  S  S4  8  0.3085  0.1668  0.4619  1.0
  S  S5  4  0.3172  0.0000  0.9595  1.0
]