data_[Y2Tl6Te6]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [21.5297]
_cell_length_b [4.7445]
_cell_length_c [15.4179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Y(TlTe)3]
_chemical_formula_sum '[Y2 Tl6 Te6]'
_cell_volume [1574.8887]
_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  2  0.0000  0.0000  0.0608  1
  Tl  Tl1  4  0.1516  0.0000  0.5833  1
  Tl  Tl2  2  0.0000  0.0000  0.3569  1
  Te  Te3  4  0.1090  0.0000  0.9510  1
  Te  Te4  2  0.0000  0.0000  0.6763  1
]