data_[La1Rh1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.9709]
_cell_length_b [4.0905]
_cell_length_c [7.5830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaRhBr2]
_chemical_formula_sum '[La1 Rh1 Br2]'
_cell_volume [119.4016]
_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
[
  La  La0  1  0.4847  0.0000  0.5797  1
  Rh  Rh1  1  0.0795  0.5000  0.6737  1
  Br  Br2  1  0.1286  0.0000  0.9120  1
  Br  Br3  1  0.8072  0.5000  0.3346  1
]