data_[Ce8Sc2Te10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.4352]
_cell_length_b [4.4352]
_cell_length_c [31.2032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ce4ScTe5]
_chemical_formula_sum '[Ce8 Sc2 Te10]'
_cell_volume [613.7889]
_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  4  0.0000  0.0000  0.1971  1
  Ce  Ce1  4  0.0000  0.0000  0.3999  1
  Sc  Sc2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.0000  0.0944  1
  Te  Te4  4  0.0000  0.0000  0.2989  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
]