data_[Hf12Ge12Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0695]
_cell_length_b [3.9509]
_cell_length_c [13.4030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3Ge3Rh]
_chemical_formula_sum '[Hf12 Ge12 Rh4]'
_cell_volume [502.4989]
_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
[
  Hf  Hf0  4  0.0122  0.5000  0.3749  1
  Hf  Hf1  4  0.1055  0.5000  0.9239  1
  Hf  Hf2  4  0.2336  0.5000  0.2286  1
  Ge  Ge3  4  0.0061  0.0000  0.2297  1
  Ge  Ge4  4  0.1233  0.0000  0.0749  1
  Ge  Ge5  4  0.1347  0.0000  0.5348  1
  Rh  Rh6  4  0.2328  0.0000  0.3803  1
]