data_[Nb2Ag6Te8]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.9360]
_cell_length_b [7.7994]
_cell_length_c [7.5297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NbAg3Te4]
_chemical_formula_sum '[Nb2 Ag6 Te8]'
_cell_volume [524.7869]
_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  0.1732  0.0064  1.0
  Ag  Ag1  4  0.2485  0.6723  0.9927  1.0
  Ag  Ag2  2  0.0000  0.8452  0.4977  1.0
  Te  Te3  4  0.2442  0.3321  0.1216  1.0
  Te  Te4  2  0.0000  0.1739  0.6573  1.0
  Te  Te5  2  0.0000  0.8549  0.1251  1.0
]