data_[Ta1Nb1Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.3738]
_cell_length_b [6.1497]
_cell_length_c [19.4120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [105.8434]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TaNbTe3]
_chemical_formula_sum '[Ta1 Nb1 Te3]'
_cell_volume [387.4648]
_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
[
  Ta  Ta0  1  0.3445  0.2939  0.4931  1
  Nb  Nb1  1  0.0353  0.6739  0.4737  1
  Te  Te2  1  0.2524  0.0269  0.3726  1
  Te  Te3  1  0.6773  0.9536  0.5608  1
  Te  Te4  1  0.9315  0.4724  0.5998  1
]