data_[Sc12Bi4Sb6Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  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 [18.2738]
_cell_length_b [4.1967]
_cell_length_c [8.4034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc6Bi2Sb3Te]
_chemical_formula_sum '[Sc12 Bi4 Sb6 Te2]'
_cell_volume [627.2930]
_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
[
  Sc  Sc0  4  0.0020  0.0000  0.7441  1
  Sc  Sc1  4  0.1647  0.5000  0.5874  1
  Sc  Sc2  4  0.1682  0.5000  0.0783  1
  Bi  Bi3  4  0.1664  0.0000  0.3324  1
  Sb  Sb4  4  0.1665  0.0000  0.8334  1
  Sb  Sb5  2  0.0000  0.5000  0.5000  1
  Te  Te6  2  0.0000  0.5000  0.0000  1
]