data_TlSi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   6.22
_cell_angle_alpha   108.38
_cell_angle_beta   108.38
_cell_angle_gamma   41.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Bi
_chemical_formula_sum   'Tl1 Si2 Bi1'
_cell_volume   103.32
_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  Tl3  1  0.63  0.0  0.65  1.0
  Si  Si1  1  0.34  0.0  0.2  1.0
  Si  Si2  1  0.45  0.0  0.04  1.0
  Bi  Bi0  1  0.92  0.0  0.89  1.0

data_TlSi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.16
_cell_length_c   6.22
_cell_angle_alpha   108.38
_cell_angle_beta   90.0
_cell_angle_gamma   110.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Bi
_chemical_formula_sum   'Tl1 Si2 Bi1'
_cell_volume   103.32
_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  0.0  0.37  0.35  1.0
  Si  Si1  1  0.0  0.55  0.96  1.0
  Si  Si2  1  0.0  0.66  0.8  1.0
  Bi  Bi3  1  0.0  0.08  0.11  1.0

Tl Si Si Bi