data_MgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   105.44
_cell_angle_beta   105.44
_cell_angle_gamma   117.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh2
_chemical_formula_sum   'Mg2 Rh4'
_cell_volume   91.62
_cell_formula_units_Z   2
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  0.0  0.28  1.0
  Mg  Mg1  1  0.0  0.0  0.83  1.0
  Rh  Rh2  1  0.11  0.88  0.0  1.0
  Rh  Rh3  1  0.11  0.12  0.55  1.0
  Rh  Rh4  1  0.88  0.88  0.0  1.0
  Rh  Rh5  1  0.88  0.11  0.55  1.0

data_MgRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   105.44
_cell_angle_beta   105.44
_cell_angle_gamma   117.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRh2
_chemical_formula_sum   'Mg2 Rh4'
_cell_volume   91.62
_cell_formula_units_Z   2
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  0.0  0.28  1.0
  Mg  Mg1  1  0.0  0.0  0.83  1.0
  Rh  Rh2  1  0.11  0.12  0.55  1.0
  Rh  Rh3  1  0.11  0.88  0.0  1.0
  Rh  Rh4  1  0.88  0.11  0.55  1.0
  Rh  Rh5  1  0.88  0.88  0.0  1.0

Mg Mg Rh Rh Rh Rh
Mg Mg Rh Rh Rh Rh 0 4 - - o 0 3 o o o 1 4 - - + 1 2 o - + 2 4 - o o 3 5 - o o 