data_[Ca4Si12Rh20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Si  1.9000  1.1000  0.5400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9118]
_cell_length_b [12.4706]
_cell_length_c [12.1946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaSi3Rh5]
_chemical_formula_sum '[Ca4 Si12 Rh20]'
_cell_volume [594.8831]
_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  4  0.0000  0.1633  0.2500  1
  Si  Si1  8  0.0000  0.3825  0.5399  1
  Si  Si2  4  0.0000  0.1148  0.7500  1
  Rh  Rh3  8  0.0000  0.2015  0.5716  1
  Rh  Rh4  8  0.0000  0.4501  0.1442  1
  Rh  Rh5  4  0.0000  0.0000  0.0000  1
]