data_[Nb2Ag4Te6]
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 [Pmna]
_cell_length_a [5.8911]
_cell_length_b [20.6731]
_cell_length_c [6.0311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [NbAg2Te3]
_chemical_formula_sum '[Nb2 Ag4 Te6]'
_cell_volume [734.5126]
_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  0.0000  0.0000  1
  Ag  Ag1  4  0.2500  0.1098  0.7500  1
  Te  Te2  4  0.0000  0.1372  0.1156  1
  Te  Te3  2  0.0000  0.0000  0.5000  1
]