data_[Ba12H2Pb4]
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 [P2_1/c]
_cell_length_a [8.0357]
_cell_length_b [8.5506]
_cell_length_c [14.0449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba6HPb2]
_chemical_formula_sum '[Ba12 H2 Pb4]'
_cell_volume [794.3007]
_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  0.1620  0.5190  0.7522  1.0
  Ba  Ba1  4  0.2409  0.1936  0.5453  1.0
  Ba  Ba2  4  0.3536  0.6980  0.5462  1.0
  H  H3  2  0.5000  0.0000  0.5000  1.0
  Pb  Pb4  4  0.2750  0.5717  0.2509  1.0
]