data_MgFe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   144.64
_cell_angle_beta   128.22
_cell_angle_gamma   64.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe2Rh
_chemical_formula_sum   'Mg1 Fe2 Rh1'
_cell_volume   55.44
_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  Mg2  1  0.0  0.0  0.2  1.0
  Fe  Fe0  1  0.0  0.0  0.06  1.0
  Fe  Fe1  1  0.51  0.0  0.97  1.0
  Rh  Rh3  1  0.0  0.17  0.2  1.0

data_MgFe2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.35
_cell_length_c   4.98
_cell_angle_alpha   115.89
_cell_angle_beta   107.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe2Rh
_chemical_formula_sum   'Mg1 Fe2 Rh1'
_cell_volume   55.44
_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  0.2  0.2  1.0
  Fe  Fe1  1  0.0  0.06  0.06  1.0
  Fe  Fe2  1  0.0  0.97  0.46  1.0
  Rh  Rh3  1  0.83  0.02  0.02  1.0

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