data_[Ba2Si2Pb4]
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 [Cm]
_cell_length_a [10.5859]
_cell_length_b [4.3151]
_cell_length_c [6.2370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaSiPb2]
_chemical_formula_sum '[Ba2 Si2 Pb4]'
_cell_volume [264.6984]
_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  2  0.2196  0.0000  0.7372  1
  Si  Si1  2  0.4948  0.0000  0.3827  1
  Pb  Pb2  2  0.0047  0.0000  0.0753  1
  Pb  Pb3  2  0.2809  0.5000  0.3047  1
]