data_[Ce4Pb4Au4Se4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1198]
_cell_length_b [13.6489]
_cell_length_c [11.1030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CePbAuSeS2]
_chemical_formula_sum '[Ce4 Pb4 Au4 Se4 S8]'
_cell_volume [624.3239]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  Pb  Pb1  4  0.0000  0.2262  0.2500  1
  Au  Au2  4  0.0000  0.4697  0.7500  1
  Se  Se3  4  0.0000  0.0997  0.7500  1
  S  S4  8  0.0000  0.3598  0.5685  1
]