data_[Sc12Al4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.6621]
_cell_length_b [14.4034]
_cell_length_c [7.0036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sc3AlTe6]
_chemical_formula_sum '[Sc12 Al4 Te24]'
_cell_volume [1176.4273]
_cell_formula_units_Z [4]
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  8  0.1810  0.0966  0.9870  1.0
  Sc  Sc1  4  0.0000  0.4063  0.8804  1.0
  Al  Al2  4  0.0000  0.2073  0.5197  1.0
  Te  Te3  8  0.1645  0.4629  0.1809  1.0
  Te  Te4  8  0.1729  0.2748  0.7159  1.0
  Te  Te5  4  0.0000  0.0383  0.6724  1.0
  Te  Te6  4  0.0000  0.2211  0.1450  1.0
]