data_[Ce12Sb4Te2As6]
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 [19.0889]
_cell_length_b [4.3493]
_cell_length_c [8.7878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Sb2TeAs3]
_chemical_formula_sum '[Ce12 Sb4 Te2 As6]'
_cell_volume [707.8295]
_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  0.0041  0.0000  0.7362  1.0
  Ce  Ce1  4  0.1626  0.5000  0.5933  1.0
  Ce  Ce2  4  0.1718  0.5000  0.0737  1.0
  Sb  Sb3  4  0.1665  0.0000  0.3330  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  As  As5  4  0.1661  0.0000  0.8335  1.0
  As  As6  2  0.0000  0.5000  0.5000  1.0
]