data_[Zr20Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6117]
_cell_length_b [15.2002]
_cell_length_c [7.7157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5Rh3]
_chemical_formula_sum '[Zr20 Rh12]'
_cell_volume [630.0062]
_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
[
  Zr  Zr0  8  0.1368  0.3167  0.7032  1.0
  Zr  Zr1  8  0.1936  0.1028  0.8629  1.0
  Zr  Zr2  4  0.2467  0.0000  0.4862  1.0
  Rh  Rh3  4  0.0000  0.1660  0.5000  1.0
  Rh  Rh4  4  0.0000  0.2500  0.0000  1.0
  Rh  Rh5  4  0.1402  0.5000  0.8384  1.0
]