data_[Ca8Bi20Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5951]
_cell_length_b [27.6321]
_cell_length_c [7.6988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2Bi5Rh3]
_chemical_formula_sum '[Ca8 Bi20 Rh12]'
_cell_volume [977.5377]
_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  0.1701  0.2755  1
  Ca  Ca1  4  0.0000  0.4749  0.2385  1
  Bi  Bi2  4  0.0000  0.0445  0.4066  1
  Bi  Bi3  4  0.0000  0.1197  0.7399  1
  Bi  Bi4  4  0.0000  0.2884  0.4950  1
  Bi  Bi5  4  0.0000  0.2980  0.0663  1
  Bi  Bi6  4  0.0000  0.4047  0.6179  1
  Rh  Rh7  4  0.0000  0.0511  0.0245  1
  Rh  Rh8  4  0.0000  0.2256  0.7874  1
  Rh  Rh9  4  0.0000  0.3965  0.9836  1
]