data_LaRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.3
_cell_angle_alpha   112.82
_cell_angle_beta   112.82
_cell_angle_gamma   45.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRh2Br
_chemical_formula_sum   'La1 Rh2 Br1'
_cell_volume   86.05
_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  La1  1  0.73  0.0  0.75  1.0
  Rh  Rh2  1  0.04  0.0  0.73  1.0
  Rh  Rh3  1  0.4  0.0  0.77  1.0
  Br  Br0  1  0.32  0.0  0.96  1.0

data_LaRh2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.0
_cell_length_c   5.3
_cell_angle_alpha   112.82
_cell_angle_beta   90.0
_cell_angle_gamma   112.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRh2Br
_chemical_formula_sum   'La1 Rh2 Br1'
_cell_volume   86.05
_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  0.0  0.27  0.25  1.0
  Rh  Rh1  1  0.0  0.6  0.23  1.0
  Rh  Rh2  1  0.0  0.96  0.27  1.0
  Br  Br3  1  0.0  0.68  0.04  1.0

La Rh Rh Br
La Rh Rh Br 0 2 o o o 0 1 + o o 1 2 o o o 1 3 o o o 2 3 o o o 