data_[Te4Rh4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2/mmc]
_cell_length_a [7.8828]
_cell_length_b [7.8828]
_cell_length_c [5.3835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [131]
_chemical_formula_structural [TeRhBr]
_chemical_formula_sum '[Te4 Rh4 Br4]'
_cell_volume [334.5175]
_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
[
  Te  Te0  4  0.0000  0.2077  0.0000  1.0
  Rh  Rh1  4  0.0000  0.2594  0.5000  1.0
  Br  Br2  4  0.2206  0.5000  0.5000  1.0
]