data_[Ba2P4Pb2]
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 [10.8483]
_cell_length_b [4.4799]
_cell_length_c [5.0145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaP2Pb]
_chemical_formula_sum '[Ba2 P4 Pb2]'
_cell_volume [241.1797]
_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  0.2508  0.0000  0.1622  1
  P  P1  2  0.2779  0.5000  0.6735  1
  P  P2  2  0.4475  0.5000  0.9813  1
  Pb  Pb3  2  0.0238  0.5000  0.6830  1
]