data_[Ba16Bi4H4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.6049]
_cell_length_b [19.3167]
_cell_length_c [7.5751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba4BiHPb]
_chemical_formula_sum '[Ba16 Bi4 H4 Pb4]'
_cell_volume [1112.7819]
_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  0.2500  0.2500  0.0000  1.0
  Ba  Ba1  4  0.0000  0.0731  0.7500  1.0
  Ba  Ba2  4  0.0000  0.4352  0.7500  1.0
  Bi  Bi3  4  0.0000  0.1160  0.2500  1.0
  H  H4  4  0.0000  0.2253  0.7500  1.0
  Pb  Pb5  4  0.0000  0.3802  0.2500  1.0
]