data_[Ba2Ta2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ta  1.5000  1.4500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9905]
_cell_length_b [3.3572]
_cell_length_c [7.1696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1152]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTaPb2]
_chemical_formula_sum '[Ba2 Ta2 Pb4]'
_cell_volume [237.4306]
_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  0.0000  0.5000  0.0000  1
  Ta  Ta1  2  0.0000  0.0000  0.5000  1
  Pb  Pb2  4  0.2343  0.5000  0.6907  1
]