data_[Ce12Bi6Te2As4]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6067]
_cell_length_b [4.4761]
_cell_length_c [9.0428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Bi3TeAs2]
_chemical_formula_sum '[Ce12 Bi6 Te2 As4]'
_cell_volume [771.1444]
_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  0.0092  0.0000  0.2531  1.0
  Ce  Ce1  4  0.1687  0.5000  0.1028  1.0
  Ce  Ce2  4  0.1722  0.5000  0.5698  1.0
  Bi  Bi3  4  0.1624  0.0000  0.8327  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
  As  As6  4  0.1682  0.0000  0.3343  1.0
]