data_TlAgBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAgBi2
_chemical_formula_sum   'Tl1 Ag1 Bi2'
_cell_volume   110.92
_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  0.72  0.72  0.93  1.0
  Ag  Ag0  1  0.0  0.0  0.12  1.0
  Bi  Bi1  1  0.72  0.72  0.04  1.0
  Bi  Bi2  1  0.0  0.0  0.37  1.0

data_TlAgBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlAgBi2
_chemical_formula_sum   'Tl2 Ag2 Bi4'
_cell_volume   221.84
_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  0.22  0.5  0.93  1.0
  Ag  Ag1  2  0.0  0.0  0.12  1.0
  Bi  Bi2  2  0.0  0.0  0.37  1.0
  Bi  Bi3  2  0.22  0.5  0.04  1.0

Tl Ag Bi Bi
Tl Ag Bi Bi 0 2 o o + 1 2 - - o 1 3 o o o 