data_[Ba12Rh2Pb4]
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 [P2_1/c]
_cell_length_a [8.1356]
_cell_length_b [8.8872]
_cell_length_c [14.1675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6RhPb2]
_chemical_formula_sum '[Ba12 Rh2 Pb4]'
_cell_volume [843.3394]
_cell_formula_units_Z [2]
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  0.1399  0.6768  0.9478  1
  Ba  Ba1  4  0.2695  0.1991  0.9457  1
  Ba  Ba2  4  0.3524  0.5272  0.7510  1
  Rh  Rh3  2  0.5000  0.0000  0.5000  1
  Pb  Pb4  4  0.2263  0.5868  0.2515  1
]