data_[Y16Sb6Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [12.2398]
_cell_length_b [12.2599]
_cell_length_c [8.6478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8Sb3Te4]
_chemical_formula_sum '[Y16 Sb6 Te8]'
_cell_volume [920.8776]
_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
[
  Y  Y0  4  0.0000  0.2536  0.5000  1.0
  Y  Y1  4  0.0000  0.2553  0.0000  1.0
  Y  Y2  4  0.2399  0.5000  0.9952  1.0
  Y  Y3  4  0.2437  0.5000  0.4930  1.0
  Sb  Sb4  4  0.2500  0.2500  0.0000  1.0
  Sb  Sb5  2  0.0000  0.5000  0.5000  1.0
  Te  Te6  4  0.2500  0.2500  0.5000  1.0
  Te  Te7  2  0.0000  0.0000  0.0000  1.0
  Te  Te8  2  0.0000  0.0000  0.5000  1.0
]