data_[La8Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.2627]
_cell_length_b [6.2627]
_cell_length_c [12.5017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La4PbSe3]
_chemical_formula_sum '[La8 Pb2 Se6]'
_cell_volume [490.3386]
_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  4  0.0000  0.0000  0.2573  1.0
  La  La1  4  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0000  0.5000  0.2500  1.0
  Se  Se4  2  0.0000  0.0000  0.5000  1.0
]