data_LaCu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.35
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   104.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2Rh
_chemical_formula_sum   'La1 Cu2 Rh1'
_cell_volume   73.51
_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  La2  1  0.34  0.0  0.6  1.0
  Cu  Cu0  1  0.03  0.18  0.07  1.0
  Cu  Cu1  1  0.89  0.18  0.13  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_LaCu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.35
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   104.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCu2Rh
_chemical_formula_sum   'La1 Cu2 Rh1'
_cell_volume   73.51
_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  0.34  0.0  0.6  1.0
  Cu  Cu1  1  0.03  0.18  0.07  1.0
  Cu  Cu2  1  0.89  0.18  0.13  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

La Cu Cu Rh
La Cu Cu Rh 0 3 o o o 0 3 o o + 0 3 + o + 0 1 o o o 0 1 o o + 0 1 + o + 0 2 - o o 0 2 o o + 0 0 + o o 1 2 - o o 1 3 o o o 