data_[Ac96Si24Te40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [19.0751]
_cell_length_b [19.0751]
_cell_length_c [19.0751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ac12Si3Te5]
_chemical_formula_sum '[Ac96 Si24 Te40]'
_cell_volume [6940.6330]
_cell_formula_units_Z [8]
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
[
  Ac  Ac0  96  0.0203  0.0807  0.6496  1
  Si  Si1  24  0.0000  0.2500  0.1250  1
  Te  Te2  24  0.0000  0.2500  0.3750  1
  Te  Te3  16  0.0000  0.0000  0.0000  1
]