data_LaRhPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRhPb
_chemical_formula_sum   'La1 Rh1 Pb1'
_cell_volume   81.91
_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  1.0  0.57  0.53  1.0
  Rh  Rh2  1  0.0  0.0  0.98  1.0
  Pb  Pb1  1  0.22  0.28  0.05  1.0

data_LaRhPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRhPb
_chemical_formula_sum   'La1 Rh1 Pb1'
_cell_volume   81.91
_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  1.0  0.57  0.53  1.0
  Rh  Rh1  1  0.0  0.0  0.98  1.0
  Pb  Pb2  1  0.22  0.28  0.05  1.0

La Rh Pb
La Rh Pb 0 2 + + o 0 2 + o o 0 2 + o + 0 1 + + - 0 1 + + o 0 1 + o - 0 1 + o o 1 2 o o + 