data_[Nb2Ag2Te6]
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 [Pc]
_cell_length_a [3.6495]
_cell_length_b [20.6458]
_cell_length_c [10.1959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [NbAgTe3]
_chemical_formula_sum '[Nb2 Ag2 Te6]'
_cell_volume [738.2790]
_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  0.7114  0.4913  0.8172  1
  Ag  Ag1  2  0.0390  0.4372  0.5823  1
  Te  Te2  2  0.2019  0.4041  0.3271  1
  Te  Te3  2  0.3894  0.4470  0.0264  1
  Te  Te4  2  0.6724  0.3633  0.7329  1
]