data_[Ba2Ca4Pb4]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5374]
_cell_length_b [5.1795]
_cell_length_c [13.2700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0929]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(CaPb)2]
_chemical_formula_sum '[Ba2 Ca4 Pb4]'
_cell_volume [379.6307]
_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  0.2935  0.7500  0.7487  1.0
  Ca  Ca1  2  0.1928  0.7500  0.1305  1.0
  Ca  Ca2  2  0.2508  0.2500  0.5042  1.0
  Pb  Pb3  2  0.2262  0.7500  0.3623  1.0
  Pb  Pb4  2  0.3205  0.2500  0.9914  1.0
]