data_[Y12Tl2Si4Te6]
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
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9060]
_cell_length_b [4.2253]
_cell_length_c [8.7951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6TlSi2Te3]
_chemical_formula_sum '[Y12 Tl2 Si4 Te6]'
_cell_volume [678.6123]
_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  0.0099  0.0000  0.2581  1.0
  Y  Y1  4  0.1693  0.5000  0.1087  1.0
  Y  Y2  4  0.1748  0.5000  0.5644  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Si  Si4  4  0.1672  0.0000  0.3335  1.0
  Te  Te5  4  0.1639  0.0000  0.8313  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]