data_MgCuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.55
_cell_angle_alpha   101.34
_cell_angle_beta   101.34
_cell_angle_gamma   34.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuRh2
_chemical_formula_sum   'Mg1 Cu1 Rh2'
_cell_volume   57.46
_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
  Mg  Mg1  1  0.58  0.0  0.3  1.0
  Cu  Cu0  1  0.02  0.0  0.23  1.0
  Rh  Rh2  1  0.04  0.0  0.08  1.0
  Rh  Rh3  1  0.58  0.0  0.07  1.0

data_MgCuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.55
_cell_length_c   4.76
_cell_angle_alpha   101.34
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuRh2
_chemical_formula_sum   'Mg1 Cu1 Rh2'
_cell_volume   57.46
_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
  Mg  Mg0  1  0.0  0.3  0.58  1.0
  Cu  Cu1  1  0.0  0.23  0.02  1.0
  Rh  Rh2  1  0.0  0.07  0.58  1.0
  Rh  Rh3  1  0.0  0.08  0.04  1.0

Mg Cu Rh Rh
Mg Cu Rh Rh 0 3 o o o 1 2 o o o 