data_Tl2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SiBi
_chemical_formula_sum   'Tl2 Si1 Bi1'
_cell_volume   111.34
_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
  Tl  Tl2  1  0.6  0.65  0.65  1.0
  Tl  Tl3  1  0.6  0.35  0.65  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.19  0.0  0.0  1.0

data_Tl2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   117.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SiBi
_chemical_formula_sum   'Tl2 Si1 Bi1'
_cell_volume   111.34
_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
  Tl  Tl0  1  0.65  0.6  0.65  1.0
  Tl  Tl1  1  0.65  0.6  0.35  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.19  0.0  1.0

Tl Tl Si Bi
Tl Tl Si Bi 0 1 o o o 2 3 o o o 