data_[Tc2Rh4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.6737]
_cell_length_b [2.9212]
_cell_length_c [6.5517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcRh2Br]
_chemical_formula_sum '[Tc2 Rh4 Br2]'
_cell_volume [164.9266]
_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
[
  Tc  Tc0  2  0.4779  0.0000  0.5923  1
  Rh  Rh1  2  0.2046  0.0000  0.7209  1
  Rh  Rh2  2  0.4377  0.5000  0.9064  1
  Br  Br3  2  0.3799  0.5000  0.2805  1
]