data_[Ba6Li6Pb16]
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 [C2/m]
_cell_length_a [18.7992]
_cell_length_b [5.2242]
_cell_length_c [11.0517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Li3Pb8]
_chemical_formula_sum '[Ba6 Li6 Pb16]'
_cell_volume [886.0402]
_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  0.2003  0.5000  0.6984  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Li  Li2  4  0.1645  0.5000  0.3162  1
  Li  Li3  2  0.0000  0.0000  0.5000  1
  Pb  Pb4  4  0.0060  0.5000  0.3192  1
  Pb  Pb5  4  0.1420  0.0000  0.4146  1
  Pb  Pb6  4  0.1448  0.5000  0.0305  1
  Pb  Pb7  4  0.1514  0.0000  0.8698  1
]