data_[Ba8Rh12Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Rh  2.2800  1.3500  0.7450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7847]
_cell_length_b [28.3355]
_cell_length_c [7.7465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2Rh3Pb5]
_chemical_formula_sum '[Ba8 Rh12 Pb20]'
_cell_volume [1050.2585]
_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
[
  Ba  Ba0  4  0.0000  0.1746  0.2765  1
  Ba  Ba1  4  0.0000  0.4744  0.2343  1
  Rh  Rh2  4  0.0000  0.0521  0.0267  1
  Rh  Rh3  4  0.0000  0.2248  0.7865  1
  Rh  Rh4  4  0.0000  0.3939  0.9788  1
  Pb  Pb5  4  0.0000  0.0513  0.4020  1
  Pb  Pb6  4  0.0000  0.1264  0.7545  1
  Pb  Pb7  4  0.0000  0.2890  0.4863  1
  Pb  Pb8  4  0.0000  0.2960  0.0774  1
  Pb  Pb9  4  0.0000  0.4041  0.6121  1
]