data_[Ce12Bi4Sb6Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Bi  2.0200  1.6000  1.0350
  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 [19.8047]
_cell_length_b [4.5524]
_cell_length_c [9.1026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Bi2Sb3Te]
_chemical_formula_sum '[Ce12 Bi4 Sb6 Te2]'
_cell_volume [798.5329]
_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  0.0016  0.0000  0.7460  1.0
  Ce  Ce1  4  0.1650  0.5000  0.5867  1.0
  Ce  Ce2  4  0.1677  0.5000  0.0791  1.0
  Bi  Bi3  4  0.1663  0.0000  0.3326  1.0
  Sb  Sb4  4  0.1665  0.0000  0.8333  1.0
  Sb  Sb5  2  0.0000  0.5000  0.5000  1.0
  Te  Te6  2  0.0000  0.5000  0.0000  1.0
]