data_[Cs2P2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0044]
_cell_length_b [6.5795]
_cell_length_c [7.4822]
_cell_angle_alpha [88.3482]
_cell_angle_beta [72.0826]
_cell_angle_gamma [64.6925]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsPPb]
_chemical_formula_sum '[Cs2 P2 Pb2]'
_cell_volume [252.4456]
_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
[
  Cs  Cs0  1  0.4315  0.0376  0.5458  1
  Cs  Cs1  1  0.6417  0.4735  0.9223  1
  P  P2  1  0.0425  0.4596  0.2062  1
  P  P3  1  0.7257  0.4068  0.4119  1
  Pb  Pb4  1  0.0634  0.0252  0.1637  1
  Pb  Pb5  1  0.1854  0.6448  0.4504  1
]