data_TlGe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.82
_cell_angle_alpha   106.6
_cell_angle_beta   106.6
_cell_angle_gamma   34.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe2Bi
_chemical_formula_sum   'Tl1 Ge2 Bi1'
_cell_volume   105.4
_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  0.56  0.0  0.61  1.0
  Ge  Ge1  1  0.31  0.0  0.02  1.0
  Ge  Ge2  1  0.63  0.0  0.2  1.0
  Bi  Bi0  1  0.52  0.0  0.5  1.0

data_TlGe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.8
_cell_length_c   5.82
_cell_angle_alpha   106.6
_cell_angle_beta   90.0
_cell_angle_gamma   107.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGe2Bi
_chemical_formula_sum   'Tl1 Ge2 Bi1'
_cell_volume   105.4
_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  0.44  0.39  1.0
  Ge  Ge1  1  0.0  0.37  0.8  1.0
  Ge  Ge2  1  0.0  0.69  0.98  1.0
  Bi  Bi3  1  0.0  0.48  0.5  1.0

Tl Ge Ge Bi