data_[Ba6Si4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7235]
_cell_length_b [4.6606]
_cell_length_c [9.5722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(SiPb)2]
_chemical_formula_sum '[Ba6 Si4 Pb4]'
_cell_volume [493.5865]
_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  0.1797  0.5000  0.6516  1
  Ba  Ba1  2  0.0000  0.5000  0.0000  1
  Si  Si2  4  0.2036  0.0000  0.9542  1
  Pb  Pb3  4  0.0234  0.0000  0.3114  1
]