data_[Nb2Tl4Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6681]
_cell_length_b [7.9380]
_cell_length_c [7.9556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.7941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NbTl2Br5]
_chemical_formula_sum '[Nb2 Tl4 Br10]'
_cell_volume [648.9103]
_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  0.0164  0.0000  0.0148  1
  Tl  Tl1  2  0.2936  0.0000  0.7720  1
  Tl  Tl2  2  0.2968  0.5000  0.3095  1
  Br  Br3  4  0.4434  0.2700  0.1644  1
  Br  Br4  4  0.4880  0.2725  0.7518  1
  Br  Br5  2  0.2535  0.0000  0.2944  1
]