data_[Tc8Te16Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [18.9355]
_cell_length_b [6.8005]
_cell_length_c [9.7530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tc2Te4Br3]
_chemical_formula_sum '[Tc8 Te16 Br12]'
_cell_volume [1161.2682]
_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
[
  Tc  Tc0  8  0.2468  0.4510  0.5406  1
  Te  Te1  8  0.1377  0.1963  0.5182  1
  Te  Te2  8  0.1917  0.3416  0.2515  1
  Br  Br3  8  0.1546  0.2518  0.8977  1
  Br  Br4  4  0.0000  0.2363  0.2500  1
]