data_[Ba12Ac4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ac  1.1000  1.9500  1.2600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9477]
_cell_length_b [13.1087]
_cell_length_c [8.4072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3AcPb3]
_chemical_formula_sum '[Ba12 Ac4 Pb12]'
_cell_volume [1315.2320]
_cell_formula_units_Z [4]
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  0.0000  0.1655  0.5000  1
  Ba  Ba1  4  0.0000  0.2608  0.0000  1
  Ba  Ba2  4  0.1786  0.5000  0.6288  1
  Ac  Ac3  4  0.2355  0.0000  0.8666  1
  Pb  Pb4  8  0.2297  0.2785  0.3177  1
  Pb  Pb5  4  0.0565  0.0000  0.1682  1
]