data_[Pb2Se2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8684]
_cell_length_b [4.1380]
_cell_length_c [4.7890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PbSeCl2]
_chemical_formula_sum '[Pb2 Se2 Cl4]'
_cell_volume [254.7079]
_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
[
  Pb  Pb0  2  0.0000  0.5000  0.0000  1
  Se  Se1  2  0.0000  0.0000  0.5000  1
  Cl  Cl2  4  0.1573  0.0000  0.2199  1
]