data_[Ce12Sb2Te10]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7312]
_cell_length_b [13.5368]
_cell_length_c [7.8242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6SbTe5]
_chemical_formula_sum '[Ce12 Sb2 Te10]'
_cell_volume [771.1633]
_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  8  0.2484  0.1655  0.2484  1
  Ce  Ce1  4  0.2482  0.0000  0.7511  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.1674  0.5000  1
  Te  Te4  4  0.0000  0.3334  0.0000  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
]