data_TlCdBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   6.98
_cell_angle_alpha   148.64
_cell_angle_beta   148.64
_cell_angle_gamma   44.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdBi
_chemical_formula_sum   'Tl1 Cd1 Bi1'
_cell_volume   91.81
_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  0.0  0.0  0.59  1.0
  Cd  Cd1  1  0.0  0.0  0.43  1.0
  Bi  Bi0  1  0.0  0.0  0.77  1.0

data_TlCdBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   112.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlCdBi
_chemical_formula_sum   'Tl2 Cd2 Bi2'
_cell_volume   183.61
_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  0.0  0.0  0.41  1.0
  Cd  Cd1  2  0.0  0.0  0.57  1.0
  Bi  Bi2  2  0.0  0.0  0.23  1.0

Tl Cd Bi
Tl Cd Bi 0 1 o o o 0 2 o o o 