data_Fe2CuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   2.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuRh
_chemical_formula_sum   'Fe2 Cu1 Rh1'
_cell_volume   50.8
_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  Fe1  1  0.3  0.16  0.33  1.0
  Fe  Fe2  1  0.3  0.84  0.33  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.6  0.0  0.0  1.0

data_Fe2CuRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   109.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2CuRh
_chemical_formula_sum   'Fe2 Cu1 Rh1'
_cell_volume   50.8
_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  0.33  0.3  0.84  1.0
  Fe  Fe1  1  0.33  0.3  0.16  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  -0.0  0.6  0.0  1.0

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