data_[Al2P2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.8165]
_cell_length_b [5.7659]
_cell_length_c [9.1498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [AlPPb2]
_chemical_formula_sum '[Al2 P2 Pb4]'
_cell_volume [201.3463]
_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
[
  Al  Al0  2  0.0000  0.0000  0.4471  1
  P  P1  2  0.0000  0.5000  0.3008  1
  Pb  Pb2  2  0.0000  0.0000  0.0405  1
  Pb  Pb3  2  0.0000  0.5000  0.7116  1
]