data_TlIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   6.04
_cell_angle_alpha   100.49
_cell_angle_beta   100.49
_cell_angle_gamma   33.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Bi
_chemical_formula_sum   'Tl1 In2 Bi1'
_cell_volume   117.9
_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  0.14  0.0  0.01  1.0
  In  In1  1  0.3  0.0  0.91  1.0
  In  In2  1  0.02  0.0  0.47  1.0
  Bi  Bi0  1  0.29  0.0  0.45  1.0

data_TlIn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.98
_cell_length_c   6.04
_cell_angle_alpha   100.49
_cell_angle_beta   90.0
_cell_angle_gamma   106.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Bi
_chemical_formula_sum   'Tl1 In2 Bi1'
_cell_volume   117.9
_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  0.86  0.99  1.0
  In  In1  1  0.0  0.7  0.09  1.0
  In  In2  1  0.0  0.98  0.53  1.0
  Bi  Bi3  1  0.0  0.71  0.55  1.0

Tl In In Bi