data_[Ce12Si2Sb4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4090]
_cell_length_b [4.4412]
_cell_length_c [8.9635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6SiSb2Te3]
_chemical_formula_sum '[Ce12 Si2 Sb4 Te6]'
_cell_volume [752.4970]
_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  0.0010  0.0000  0.7722  1.0
  Ce  Ce1  4  0.1572  0.5000  0.0817  1.0
  Ce  Ce2  4  0.1675  0.5000  0.5814  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb4  4  0.1656  0.0000  0.3335  1.0
  Te  Te5  4  0.1704  0.0000  0.8358  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]