data_[Ce4Bi2Pb1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8161]
_cell_length_b [4.5247]
_cell_length_c [7.8697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4Bi2PbSe]
_chemical_formula_sum '[Ce4 Bi2 Pb1 Se1]'
_cell_volume [262.2176]
_cell_formula_units_Z [1]
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  0.2382  0.5000  0.2356  1.0
  Ce  Ce1  2  0.2457  0.0000  0.7589  1.0
  Bi  Bi2  1  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  1  0.5000  0.0000  0.5000  1.0
  Pb  Pb4  1  0.5000  0.5000  0.0000  1.0
  Se  Se5  1  0.0000  0.0000  0.0000  1.0
]