data_[Ca8Rh8Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.0236]
_cell_length_b [8.4236]
_cell_length_c [5.9187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaRhPb2]
_chemical_formula_sum '[Ca8 Rh8 Pb16]'
_cell_volume [798.8872]
_cell_formula_units_Z [8]
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  0.1074  0.2500  0.7379  1
  Ca  Ca1  4  0.1419  0.7500  0.5176  1
  Rh  Rh2  4  0.0729  0.7500  0.0131  1
  Rh  Rh3  4  0.1763  0.2500  0.2296  1
  Pb  Pb4  8  0.0361  0.0475  0.2451  1
  Pb  Pb5  8  0.2150  0.5491  0.0016  1
]