data_[Y13Tl2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8038]
_cell_length_b [8.6294]
_cell_length_c [8.9474]
_cell_angle_alpha [66.6612]
_cell_angle_beta [79.0725]
_cell_angle_gamma [82.7367]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y13Tl2]
_chemical_formula_sum '[Y13 Tl2]'
_cell_volume [472.8320]
_cell_formula_units_Z [1]
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  0.1196  0.4808  0.7356  1.0
  Y  Y1  2  0.1993  0.2290  0.1506  1.0
  Y  Y2  2  0.2554  0.9416  0.5815  1.0
  Y  Y3  2  0.3076  0.6546  0.9722  1.0
  Y  Y4  2  0.3711  0.4094  0.3891  1.0
  Y  Y5  2  0.4910  0.1463  0.7939  1.0
  Y  Y6  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl7  2  0.0597  0.7707  0.3787  1.0
]