data_[Ba8H2Pb4]
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/m]
_cell_length_a [7.1449]
_cell_length_b [8.0123]
_cell_length_c [10.4227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4HPb2]
_chemical_formula_sum '[Ba8 H2 Pb4]'
_cell_volume [571.2899]
_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  0.2584  0.0011  0.7311  1.0
  Ba  Ba1  2  0.1759  0.7500  0.0664  1.0
  Ba  Ba2  2  0.2780  0.2500  0.3670  1.0
  H  H3  2  0.0806  0.7500  0.7972  1.0
  Pb  Pb4  2  0.2072  0.7500  0.4212  1.0
  Pb  Pb5  2  0.3611  0.2500  0.0374  1.0
]