data_[Ce12Sb6Te2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  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 [19.2813]
_cell_length_b [4.4236]
_cell_length_c [8.8789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Sb3TeAs2]
_chemical_formula_sum '[Ce12 Sb6 Te2 As4]'
_cell_volume [736.9888]
_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  0.0069  0.0000  0.2566  1.0
  Ce  Ce1  4  0.1696  0.5000  0.0984  1.0
  Ce  Ce2  4  0.1707  0.5000  0.5736  1.0
  Sb  Sb3  4  0.1629  0.0000  0.8326  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
  As  As6  4  0.1680  0.0000  0.3342  1.0
]