data_[Ge48Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.7193]
_cell_length_b [12.2586]
_cell_length_c [8.3000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ge4Rh]
_chemical_formula_sum '[Ge48 Rh12]'
_cell_volume [1097.7811]
_cell_formula_units_Z [12]
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
[
  Ge  Ge0  8  0.0608  0.2034  0.5551  1
  Ge  Ge1  8  0.0794  0.0372  0.9322  1
  Ge  Ge2  8  0.0978  0.4495  0.4861  1
  Ge  Ge3  8  0.1559  0.1344  0.3115  1
  Ge  Ge4  8  0.2093  0.3761  0.2668  1
  Ge  Ge5  4  0.0000  0.3369  0.7500  1
  Ge  Ge6  4  0.2500  0.2500  0.0000  1
  Rh  Rh7  8  0.2072  0.4212  0.8353  1
  Rh  Rh8  4  0.0000  0.2891  0.2500  1
]