data_[Ca12Sb12Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sb  2.0500  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6092]
_cell_length_b [11.0568]
_cell_length_c [15.2824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ca3Sb3Rh2]
_chemical_formula_sum '[Ca12 Sb12 Rh8]'
_cell_volume [778.8434]
_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  0.0781  0.6109  1.0
  Ca  Ca1  4  0.0000  0.3586  0.7500  1.0
  Sb  Sb2  8  0.0000  0.3669  0.5365  1.0
  Sb  Sb3  4  0.0000  0.3412  0.2500  1.0
  Rh  Rh4  8  0.0000  0.2071  0.1003  1.0
]