data_[Ba8Ca4Pb4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Pb  2.3300  1.8000  1.1225
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.5378]
_cell_length_b [7.5958]
_cell_length_c [10.6671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ba2CaPbO4]
_chemical_formula_sum '[Ba8 Ca4 Pb4 O16]'
_cell_volume [610.7467]
_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  0.0000  0.5000  1
  Ba  Ba1  4  0.2500  0.2500  0.7500  1
  Ca  Ca2  4  0.2500  0.2500  0.2500  1
  Pb  Pb3  4  0.0000  0.0000  0.0000  1
  O  O4  8  0.0000  0.0191  0.2484  1
  O  O5  8  0.2477  0.2500  0.0122  1
]