data_[Ti24Sb12Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.3655]
_cell_length_b [12.9356]
_cell_length_c [7.0490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ti6Sb3Te]
_chemical_formula_sum '[Ti24 Sb12 Te4]'
_cell_volume [853.9715]
_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
[
  Ti  Ti0  8  0.1584  0.4284  0.3292  1
  Ti  Ti1  8  0.1939  0.2501  0.7468  1
  Ti  Ti2  4  0.0000  0.0370  0.7716  1
  Ti  Ti3  4  0.0000  0.2480  0.4096  1
  Sb  Sb4  8  0.1973  0.0894  0.4877  1
  Sb  Sb5  4  0.0000  0.4126  0.6657  1
  Te  Te6  4  0.0000  0.1843  0.0405  1
]