data_[Ca8Si16Rh12]
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 [Fmmm]
_cell_length_a [5.5553]
_cell_length_b [9.7635]
_cell_length_c [11.7442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ca2Si4Rh3]
_chemical_formula_sum '[Ca8 Si16 Rh12]'
_cell_volume [636.9950]
_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  0.0000  0.0000  0.3652  1
  Si  Si1  16  0.0000  0.1867  0.1567  1
  Rh  Rh2  8  0.2500  0.2500  0.0000  1
  Rh  Rh3  4  0.0000  0.0000  0.0000  1
]