data_YTl2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   138.34
_cell_angle_beta   130.83
_cell_angle_gamma   66.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Au
_chemical_formula_sum   'Y1 Tl2 Au1'
_cell_volume   101.83
_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  Y3  1  0.0  0.0  0.76  1.0
  Tl  Tl1  1  0.0  0.0  0.15  1.0
  Tl  Tl2  1  0.0  0.46  0.45  1.0
  Au  Au0  1  0.1  0.0  0.52  1.0

data_YTl2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.91
_cell_length_c   5.9
_cell_angle_alpha   114.59
_cell_angle_beta   110.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Au
_chemical_formula_sum   'Y1 Tl2 Au1'
_cell_volume   101.83
_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  1  0.24  0.24  0.24  1.0
  Tl  Tl1  1  0.55  0.0  0.0  1.0
  Tl  Tl2  1  0.85  0.85  0.85  1.0
  Au  Au3  1  0.58  0.48  0.58  1.0

Y Tl Tl Au