data_[Tl10Mo4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1281]
_cell_length_b [7.9355]
_cell_length_c [10.4667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(MoBr6)2]
_chemical_formula_sum '[Tl10 Mo4 Br24]'
_cell_volume [1442.1901]
_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  4  0.1885  0.5000  0.7999  1
  Tl  Tl1  4  0.2081  0.5000  0.3628  1
  Tl  Tl2  2  0.0000  0.0000  0.5000  1
  Mo  Mo3  4  0.0000  0.2508  0.0000  1
  Br  Br4  8  0.1455  0.2508  0.0565  1
  Br  Br5  8  0.1480  0.2534  0.5632  1
  Br  Br6  4  0.0059  0.5000  0.1707  1
  Br  Br7  4  0.0073  0.0000  0.1694  1
]