data_TlGeBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55
_cell_length_b   7.47
_cell_length_c   3.49
_cell_angle_alpha   77.79
_cell_angle_beta   75.36
_cell_angle_gamma   26.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGeBi
_chemical_formula_sum   'Tl1 Ge1 Bi1'
_cell_volume   85.99
_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  0.35  0.58  0.54  1.0
  Ge  Ge1  1  0.35  0.58  0.35  1.0
  Bi  Bi0  1  0.35  0.58  0.31  1.0

data_TlGeBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   14.19
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   132.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlGeBi
_chemical_formula_sum   'Tl2 Ge2 Bi2'
_cell_volume   171.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.03  0.5  0.11  1.0
  Ge  Ge1  2  0.23  0.5  0.31  1.0
  Bi  Bi2  2  0.26  0.5  0.34  1.0

Tl Ge Bi