data_[Cd1Rh2Br1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1506]
_cell_length_b [3.1506]
_cell_length_c [7.5636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CdRh2Br]
_chemical_formula_sum '[Cd1 Rh2 Br1]'
_cell_volume [75.0781]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.5000  0.5000  0.7954  1
  Rh  Rh1  1  0.0000  0.0000  0.0249  1
  Rh  Rh2  1  0.5000  0.5000  0.2193  1
  Br  Br3  1  0.0000  0.0000  0.4605  1
]