data_[Ba4Li4Ca2Pb10]
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
  Ca  1.0000  1.8000  1.1400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.4442]
_cell_length_b [11.4442]
_cell_length_c [4.7177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ba2Li2CaPb5]
_chemical_formula_sum '[Ba4 Li4 Ca2 Pb10]'
_cell_volume [617.8778]
_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  0.1777  0.6777  0.0000  1.0
  Li  Li1  4  0.1162  0.3838  0.0000  1.0
  Ca  Ca2  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  8  0.0666  0.2142  0.5000  1.0
  Pb  Pb4  2  0.0000  0.5000  0.5000  1.0
]