data_[Ce2Pd2Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6211]
_cell_length_b [4.1958]
_cell_length_c [9.1923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CePdPbSe3]
_chemical_formula_sum '[Ce2 Pd2 Pb2 Se6]'
_cell_volume [323.2420]
_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
[
  Ce  Ce0  2  0.3248  0.7500  0.8241  1.0
  Pd  Pd1  2  0.1058  0.2500  0.5478  1.0
  Pb  Pb2  2  0.1680  0.2500  0.2424  1.0
  Se  Se3  2  0.0994  0.2500  0.8534  1.0
  Se  Se4  2  0.2541  0.7500  0.5098  1.0
  Se  Se5  2  0.4323  0.7500  0.1540  1.0
]