data_[Ca20Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.0579]
_cell_length_b [8.7470]
_cell_length_c [7.4847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ca5Rh3]
_chemical_formula_sum '[Ca20 Rh12]'
_cell_volume [789.4230]
_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
[
  Ca  Ca0  8  0.0890  0.5285  0.8242  1
  Ca  Ca1  4  0.0000  0.2500  0.5342  1
  Ca  Ca2  4  0.1933  0.2500  0.1498  1
  Ca  Ca3  4  0.2237  0.7500  0.1731  1
  Rh  Rh4  8  0.1630  0.0013  0.4424  1
  Rh  Rh5  4  0.0019  0.2500  0.9329  1
]