data_YTlBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   139.27
_cell_angle_beta   135.71
_cell_angle_gamma   61.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlBi2
_chemical_formula_sum   'Y1 Tl1 Bi2'
_cell_volume   118.79
_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  0.22  1.0
  Tl  Tl2  1  0.0  0.42  0.02  1.0
  Bi  Bi0  1  0.23  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.76  1.0

data_YTlBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.83
_cell_length_c   6.41
_cell_angle_alpha   112.15
_cell_angle_beta   110.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTlBi2
_chemical_formula_sum   'Y1 Tl1 Bi2'
_cell_volume   118.79
_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  0.78  0.78  0.78  1.0
  Tl  Tl1  1  0.98  0.4  0.4  1.0
  Bi  Bi2  1  0.23  1.0  0.23  1.0
  Bi  Bi3  1  0.24  0.24  0.24  1.0

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