data_[Ce20Te8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.6015]
_cell_length_b [8.0099]
_cell_length_c [7.9571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce5(TeSe)2]
_chemical_formula_sum '[Ce20 Te8 Se8]'
_cell_volume [994.3735]
_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  16  0.1252  0.1562  0.3437  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Te  Te2  8  0.2029  0.0000  0.0000  1
  Se  Se3  8  0.0000  0.1471  0.6461  1
]