data_[Ce20Te8As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.6646]
_cell_length_b [8.0291]
_cell_length_c [8.0277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce5(TeAs)2]
_chemical_formula_sum '[Ce20 Te8 As8]'
_cell_volume [1009.6580]
_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  0.1250  0.1557  0.3439  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Te  Te2  8  0.2023  0.0000  0.0000  1
  As  As3  8  0.0000  0.1481  0.6473  1
]