data_[Mg8Ga20Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8210]
_cell_length_b [12.2481]
_cell_length_c [5.4618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg2Ga5Rh3]
_chemical_formula_sum '[Mg8 Ga20 Rh12]'
_cell_volume [645.6484]
_cell_formula_units_Z [4]
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  8  0.1170  0.2767  0.0931  1
  Ga  Ga1  8  0.1221  0.1531  0.5874  1
  Ga  Ga2  8  0.2235  0.0442  0.0414  1
  Ga  Ga3  4  0.0000  0.4906  0.2500  1
  Rh  Rh4  8  0.1486  0.3555  0.5878  1
  Rh  Rh5  4  0.0000  0.0170  0.2500  1
]