data_[Tc4Au8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1500]
_cell_length_b [15.1131]
_cell_length_c [6.3705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tc(AuBr3)2]
_chemical_formula_sum '[Tc4 Au8 Br24]'
_cell_volume [1354.9509]
_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  4  0.0000  0.0717  0.2500  1
  Au  Au1  8  0.1100  0.4996  0.2888  1
  Br  Br2  8  0.1022  0.0565  0.6018  1
  Br  Br3  8  0.1080  0.1807  0.1303  1
  Br  Br4  8  0.1183  0.3758  0.5418  1
]