data_[Y20Si8Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7213]
_cell_length_b [7.7213]
_cell_length_c [13.7667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Y5Si2Te]
_chemical_formula_sum '[Y20 Si8 Te4]'
_cell_volume [820.7423]
_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
[
  Y  Y0  16  0.1595  0.3405  0.6393  1
  Y  Y1  4  0.0000  0.0000  0.0000  1
  Si  Si2  8  0.1415  0.6415  0.5000  1
  Te  Te3  4  0.0000  0.0000  0.2500  1
]