data_[La2P2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4023]
_cell_length_b [4.0922]
_cell_length_c [6.3625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaPPb2]
_chemical_formula_sum '[La2 P2 Pb4]'
_cell_volume [235.0349]
_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
[
  La  La0  2  0.0484  0.5000  0.6187  1
  P  P1  2  0.2592  0.0000  0.6191  1
  Pb  Pb2  2  0.2431  0.5000  0.2726  1
  Pb  Pb3  2  0.4494  0.5000  0.9896  1
]