data_Mg5Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   7.93
_cell_length_c   7.93
_cell_angle_alpha   23.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Rh
_chemical_formula_sum   'Mg5 Rh1'
_cell_volume   117.95
_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  0.0  0.08  1.0
  Mg  Mg1  1  0.38  0.0  0.98  1.0
  Mg  Mg2  1  0.0  0.0  0.1  1.0
  Mg  Mg3  1  0.38  0.0  0.45  1.0
  Mg  Mg4  1  0.0  0.0  0.68  1.0
  Rh  Rh5  1  0.38  0.0  0.52  1.0

data_Mg5Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.76
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Rh
_chemical_formula_sum   'Mg5 Rh1'
_cell_volume   117.95
_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  0.02  0.38  0.02  1.0
  Mg  Mg1  1  0.32  0.0  0.32  1.0
  Mg  Mg2  1  0.55  0.38  0.55  1.0
  Mg  Mg3  1  0.9  0.0  0.9  1.0
  Mg  Mg4  1  0.92  0.0  0.92  1.0
  Rh  Rh5  1  0.48  0.38  0.48  1.0

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