data_[La1Rh2Br1]
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 [3.5860]
_cell_length_b [3.5785]
_cell_length_c [7.8485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaRh2Br]
_chemical_formula_sum '[La1 Rh2 Br1]'
_cell_volume [98.3900]
_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  0.5402  0.5000  0.2121  1
  Rh  Rh1  1  0.3827  0.5000  0.8725  1
  Rh  Rh2  1  0.9227  0.0000  0.9590  1
  Br  Br3  1  0.1544  0.0000  0.4564  1
]