data_[Nb4Tl10S8Br18]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.4503]
_cell_length_b [10.3911]
_cell_length_c [16.2684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nb2Tl5S4Br9]
_chemical_formula_sum '[Nb4 Tl10 S8 Br18]'
_cell_volume [1259.4476]
_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  4  0.0000  0.0000  0.0895  1.0
  Tl  Tl1  8  0.0000  0.2177  0.3344  1.0
  Tl  Tl2  2  0.0000  0.5000  0.0000  1.0
  S  S3  8  0.2392  0.0971  0.0000  1.0
  Br  Br4  8  0.0000  0.2608  0.1338  1.0
  Br  Br5  8  0.2452  0.0000  0.2125  1.0
  Br  Br6  2  0.0000  0.0000  0.5000  1.0
]