data_LaBiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   138.38
_cell_angle_beta   138.38
_cell_angle_gamma   60.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBiRh2
_chemical_formula_sum   'La1 Bi1 Rh2'
_cell_volume   85.64
_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  0.02  1.0
  Bi  Bi0  1  0.06  0.0  0.51  1.0
  Rh  Rh2  1  0.0  0.06  0.51  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_LaBiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   5.81
_cell_angle_alpha   110.81
_cell_angle_beta   110.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBiRh2
_chemical_formula_sum   'La1 Bi1 Rh2'
_cell_volume   85.64
_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  0.02  0.02  0.02  1.0
  Bi  Bi1  1  0.51  0.45  0.45  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.45  0.51  0.45  1.0

La Bi Rh Rh
La Bi Rh Rh 0 3 o o o 1 2 o o o 