data_[Ce2Bi6Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.1506]
_cell_length_b [4.4270]
_cell_length_c [13.2121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce(BiTe2)3]
_chemical_formula_sum '[Ce2 Bi6 Te12]'
_cell_volume [724.8188]
_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  2  0.3054  0.2500  0.9583  1.0
  Bi  Bi1  2  0.1011  0.7500  0.1490  1.0
  Bi  Bi2  2  0.1588  0.2500  0.5559  1.0
  Bi  Bi3  2  0.4630  0.7500  0.7003  1.0
  Te  Te4  2  0.0691  0.7500  0.3928  1.0
  Te  Te5  2  0.1039  0.7500  0.9229  1.0
  Te  Te6  2  0.2589  0.7500  0.7563  1.0
  Te  Te7  2  0.2667  0.2500  0.1965  1.0
  Te  Te8  2  0.3812  0.2500  0.5290  1.0
  Te  Te9  2  0.4709  0.7500  0.1030  1.0
]