data_[Ce4Au2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7551]
_cell_length_b [7.1172]
_cell_length_c [7.9928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce2AuSe4]
_chemical_formula_sum '[Ce4 Au2 Se8]'
_cell_volume [367.1624]
_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  0.2768  0.2500  0.9420  1
  Ce  Ce1  2  0.2935  0.2500  0.4511  1
  Au  Au2  2  0.2600  0.7500  0.1864  1
  Se  Se3  4  0.4660  0.5206  0.7437  1
  Se  Se4  2  0.0246  0.7500  0.8687  1
  Se  Se5  2  0.0326  0.7500  0.3947  1
]