data_[Nb2Tl2Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7598]
_cell_length_b [21.1847]
_cell_length_c [6.2620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nb2Tl2Te3]
_chemical_formula_sum '[Nb2 Tl2 Te3]'
_cell_volume [498.7761]
_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  2  0.5000  0.4425  0.0449  1
  Tl  Tl1  2  0.5000  0.3540  0.6458  1
  Te  Te2  2  0.0000  0.3601  0.2297  1
  Te  Te3  1  0.0000  0.5000  0.7370  1
]