data_Tl2CdGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2CdGa
_chemical_formula_sum   'Tl2 Cd1 Ga1'
_cell_volume   106.43
_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  0.66  0.88  1.0
  Tl  Tl3  1  0.66  0.0  0.88  1.0
  Cd  Cd0  1  0.66  0.66  0.0  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_Tl2CdGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.53
_cell_length_b   7.53
_cell_length_c   3.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2CdGa
_chemical_formula_sum   'Tl4 Cd2 Ga2'
_cell_volume   212.86
_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  4  0.33  0.33  0.88  1.0
  Cd  Cd1  2  0.16  0.5  0.0  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0

Tl Tl Cd Ga
Tl Tl Cd Ga 0 2 - o + 0 3 o + + 1 2 o - + 1 3 + o + 