data_MnCu2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCu2Rh
_chemical_formula_sum   'Mn1 Cu2 Rh1'
_cell_volume   52.74
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.38  0.0  0.58  1.0
  Cu  Cu1  1  0.38  0.0  0.12  1.0
  Rh  Rh3  1  0.0  0.0  0.35  1.0

data_MnCu2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   8.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCu2Rh
_chemical_formula_sum   'Mn1 Cu2 Rh1'
_cell_volume   52.74
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.38  0.0  0.12  1.0
  Cu  Cu2  1  0.38  0.0  0.58  1.0
  Rh  Rh3  1  0.0  0.0  0.35  1.0

Mn Cu Cu Rh
Mn Cu Cu Rh 0 2 o o o 1 1 + + o 1 1 o + o 1 1 + o o 1 3 o o o 1 3 + o o 2 3 + o o 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 