data_[Tl4Sb2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6446]
_cell_length_b [8.1299]
_cell_length_c [8.1685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.4012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2SbBr5]
_chemical_formula_sum '[Tl4 Sb2 Br10]'
_cell_volume [658.0691]
_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
[
  Tl  Tl0  2  0.1988  0.0000  0.6908  1.0
  Tl  Tl1  2  0.1998  0.5000  0.1665  1.0
  Sb  Sb2  2  0.0220  0.0000  0.0251  1.0
  Br  Br3  4  0.0104  0.2447  0.7690  1.0
  Br  Br4  4  0.0352  0.2449  0.2806  1.0
  Br  Br5  2  0.2652  0.5000  0.7953  1.0
]