data_[Ba2Li1Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.0268]
_cell_length_b [5.0843]
_cell_length_c [8.6175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ba2LiPb3]
_chemical_formula_sum '[Ba2 Li1 Pb3]'
_cell_volume [220.2462]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5112  1.0
  Ba  Ba1  1  0.0000  0.5000  0.9906  1.0
  Li  Li2  1  0.5000  0.5000  0.3184  1.0
  Pb  Pb3  1  0.5000  0.0000  0.1941  1.0
  Pb  Pb4  1  0.5000  0.0000  0.8449  1.0
  Pb  Pb5  1  0.5000  0.5000  0.6408  1.0
]