data_[Y6Tl6Ag2Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4365]
_cell_length_b [8.6105]
_cell_length_c [9.5801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Tl3AgTe8]
_chemical_formula_sum '[Y6 Tl6 Ag2 Te16]'
_cell_volume [1075.2624]
_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  0.2500  0.2500  0.5000  1.0
  Y  Y1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.0000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  8  0.0122  0.2727  0.3033  1.0
  Te  Te6  4  0.2019  0.0000  0.2401  1.0
  Te  Te7  4  0.2382  0.0000  0.7199  1.0
]