data_[Tl12Tc4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Tc  1.9000  1.3500  0.7417
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [9.3801]
_cell_length_b [11.4964]
_cell_length_c [13.7631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tl3TcBr6]
_chemical_formula_sum '[Tl12 Tc4 Br24]'
_cell_volume [1484.1721]
_cell_formula_units_Z [4]
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  8  0.2500  0.2500  0.2500  1
  Tl  Tl1  4  0.0000  0.0000  0.5000  1
  Tc  Tc2  4  0.0000  0.0000  0.0000  1
  Br  Br3  16  0.1924  0.0000  0.8691  1
  Br  Br4  8  0.0000  0.2230  0.0000  1
]