data_Y2TlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.83
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlBi
_chemical_formula_sum   'Y2 Tl1 Bi1'
_cell_volume   122.92
_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  0.02  0.41  0.14  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.0  0.14  1.0
  Bi  Bi0  1  0.02  0.41  0.0  1.0

data_Y2TlBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.83
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlBi
_chemical_formula_sum   'Y2 Tl1 Bi1'
_cell_volume   122.92
_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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.02  0.41  0.14  1.0
  Tl  Tl2  1  0.0  0.0  0.14  1.0
  Bi  Bi3  1  0.02  0.41  -0.0  1.0

Y Y Tl Bi
Y Y Tl Bi 0 3 o o o 1 2 o o o 