data_[Y6Tl6Au6]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [14.3862]
_cell_length_b [3.7999]
_cell_length_c [8.0070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [YTlAu]
_chemical_formula_sum '[Y6 Tl6 Au6]'
_cell_volume [437.7123]
_cell_formula_units_Z [6]
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  0.0570  0.0000  0.7779  1.0
  Y  Y1  2  0.2500  0.0000  0.1827  1.0
  Tl  Tl2  4  0.1065  0.5000  0.4390  1.0
  Tl  Tl3  2  0.2500  0.5000  0.8444  1.0
  Au  Au4  4  0.0908  0.5000  0.0737  1.0
  Au  Au5  2  0.2500  0.0000  0.5681  1.0
]