data_LaBiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   140.51
_cell_angle_beta   140.51
_cell_angle_gamma   57.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBiRh
_chemical_formula_sum   'La1 Bi1 Rh1'
_cell_volume   82.48
_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  0.0  0.0  0.3  1.0
  Bi  Bi0  1  0.0  0.0  0.13  1.0
  Rh  Rh2  1  0.0  0.0  0.94  1.0

data_LaBiRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   118.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBiRh
_chemical_formula_sum   'La2 Bi2 Rh2'
_cell_volume   164.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.3  0.0  0.3  1.0
  Bi  Bi1  2  0.13  0.0  0.13  1.0
  Rh  Rh2  2  0.44  0.5  0.94  1.0

La Bi Rh
La Bi Rh 0 1 o o o 1 2 o o - 