data_[Ba4P2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5022]
_cell_length_b [4.4892]
_cell_length_c [5.3875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba2PPb]
_chemical_formula_sum '[Ba4 P2 Pb2]'
_cell_volume [297.3010]
_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  0.2621  0.0000  0.3478  1
  Ba  Ba1  2  0.4953  0.5000  0.8995  1
  P  P2  2  0.0330  0.5000  0.4450  1
  Pb  Pb3  2  0.2096  0.5000  0.8077  1
]