data_[Y12Tl2Te6Se4]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3931]
_cell_length_b [12.7458]
_cell_length_c [7.5174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6TlTe3Se2]
_chemical_formula_sum '[Y12 Tl2 Te6 Se4]'
_cell_volume [669.8418]
_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  8  0.2465  0.1703  0.2293  1
  Y  Y1  4  0.2342  0.5000  0.2255  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0000  0.1642  0.5000  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  Se  Se5  4  0.0000  0.3327  0.0000  1
]