data_[Mg4Rh20S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.0440]
_cell_length_b [10.0440]
_cell_length_c [10.0440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [MgRh5S8]
_chemical_formula_sum '[Mg4 Rh20 S32]'
_cell_volume [1013.2629]
_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  4  0.2500  0.2500  0.7500  1
  Rh  Rh1  16  0.1254  0.1254  0.3746  1
  Rh  Rh2  4  0.0000  0.0000  0.0000  1
  S  S3  16  0.1102  0.1102  0.6102  1
  S  S4  16  0.1358  0.1358  0.1358  1
]