data_Mg4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   8.27
_cell_angle_alpha   154.52
_cell_angle_beta   154.52
_cell_angle_gamma   36.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Rh
_chemical_formula_sum   'Mg4 Rh1'
_cell_volume   104.44
_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  0.82  0.0  0.93  1.0
  Mg  Mg1  1  0.0  0.0  0.51  1.0
  Mg  Mg2  1  0.0  0.0  0.2  1.0
  Mg  Mg3  1  0.0  0.82  0.93  1.0
  Rh  Rh4  1  0.0  0.0  0.0  1.0

data_Mg4Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   108.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg4Rh
_chemical_formula_sum   'Mg8 Rh2'
_cell_volume   208.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.02  0.09  0.1  1.0
  Mg  Mg1  2  0.01  0.5  0.51  1.0
  Mg  Mg2  2  0.2  0.0  0.2  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

Mg Mg Mg Mg Rh