data_Y2TlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlAu
_chemical_formula_sum   'Y2 Tl1 Au1'
_cell_volume   107.47
_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  Y2  1  0.0  0.0  0.17  1.0
  Y  Y3  1  0.5  0.0  0.82  1.0
  Tl  Tl1  1  0.5  0.0  0.31  1.0
  Au  Au0  1  0.0  0.0  0.22  1.0

data_Y2TlAu
_symmetry_space_group_name_H-M   Pmm2
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   25
_chemical_formula_structural   Y2TlAu
_chemical_formula_sum   'Y2 Tl1 Au1'
_cell_volume   107.52
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  '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  0.0  0.0  0.82  1.0
  Y  Y1  1  0.5  0.0  0.17  1.0
  Tl  Tl2  1  0.0  0.0  0.31  1.0
  Au  Au3  1  0.5  0.0  0.22  1.0

Y Y Tl Au
Y Y Tl Au 0 3 o o o 0 1 o o - 0 1 - o - 0 2 o o o 0 2 - o o 1 1 o + o 1 1 + o o 1 3 o o + 1 3 + o + 1 2 o o + 2 3 o o o 2 3 + o o 