data_[Ba12H4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7130]
_cell_length_b [7.3797]
_cell_length_c [9.4501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba3HPb2]
_chemical_formula_sum '[Ba12 H4 Pb8]'
_cell_volume [937.9839]
_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  8  0.1421  0.1144  0.1544  1
  Ba  Ba1  4  0.0000  0.3889  0.7500  1
  H  H2  4  0.0000  0.0455  0.7500  1
  Pb  Pb3  8  0.1638  0.3726  0.5101  1
]