data_[Ca12Si8Rh8]
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 [Pbcm]
_cell_length_a [5.7841]
_cell_length_b [7.6527]
_cell_length_c [13.4062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Ca3(SiRh)2]
_chemical_formula_sum '[Ca12 Si8 Rh8]'
_cell_volume [593.4124]
_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  0.1333  0.6098  0.1010  1
  Ca  Ca1  4  0.3643  0.2286  0.7500  1
  Si  Si2  4  0.1622  0.5800  0.7500  1
  Si  Si3  4  0.4116  0.2500  0.0000  1
  Rh  Rh4  8  0.3647  0.5247  0.5903  1
]