data_[Nb1Ag1Te4]
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 [P1]
_cell_length_a [3.4248]
_cell_length_b [7.3204]
_cell_length_c [19.3814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [102.9175]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbAgTe4]
_chemical_formula_sum '[Nb1 Ag1 Te4]'
_cell_volume [473.6195]
_cell_formula_units_Z [1]
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  1  0.5209  0.9916  0.4606  1
  Ag  Ag1  1  0.8021  0.6096  0.5350  1
  Te  Te2  1  0.0260  0.0119  0.5774  1
  Te  Te3  1  0.1372  0.2494  0.4010  1
  Te  Te4  1  0.2128  0.4159  0.6260  1
  Te  Te5  1  0.8867  0.7276  0.4000  1
]