data_FeCu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   4.21
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   101.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu2Rh
_chemical_formula_sum   'Fe1 Cu2 Rh1'
_cell_volume   51.14
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.84  0.1  0.6  1.0
  Cu  Cu1  1  0.8  0.1  0.15  1.0
  Rh  Rh3  1  0.82  0.0  0.37  1.0

data_FeCu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.21
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   101.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu2Rh
_chemical_formula_sum   'Fe1 Cu2 Rh1'
_cell_volume   51.14
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.8  0.1  0.15  1.0
  Cu  Cu2  1  0.84  0.1  0.6  1.0
  Rh  Rh3  1  0.82  0.0  0.37  1.0

Fe Cu Cu Rh
Fe Cu Cu Rh 0 2 - o o 1 3 o o o 2 3 o o o 