data_[Ba2Zn2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.9868]
_cell_length_b [6.8619]
_cell_length_c [6.8924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaZnPb3]
_chemical_formula_sum '[Ba2 Zn2 Pb6]'
_cell_volume [330.4425]
_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  0.7946  0.0528  1.0
  Zn  Zn1  2  0.0000  0.3849  0.3610  1.0
  Pb  Pb2  4  0.2466  0.7010  0.5298  1.0
  Pb  Pb3  2  0.0000  0.1012  0.6481  1.0
]