data_Tl3Ga5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81
_cell_length_b   8.81
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Ga5
_chemical_formula_sum   'Tl6 Ga10'
_cell_volume   396.5
_cell_formula_units_Z   2
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  Tl10  1  0.25  0.03  0.43  1.0
  Tl  Tl11  1  0.35  0.6  0.48  1.0
  Tl  Tl12  1  0.65  0.6  0.43  1.0
  Tl  Tl13  1  0.5  0.0  0.43  1.0
  Tl  Tl14  1  0.31  0.0  0.48  1.0
  Tl  Tl15  1  0.75  0.03  0.48  1.0
  Ga  Ga0  1  0.4  0.54  0.95  1.0
  Ga  Ga1  1  0.0  0.08  0.0  1.0
  Ga  Ga2  1  0.0  0.08  0.95  1.0
  Ga  Ga3  1  0.4  0.54  0.0  1.0
  Ga  Ga4  1  0.6  0.89  0.43  1.0
  Ga  Ga5  1  1.0  0.73  0.48  1.0
  Ga  Ga6  1  0.0  0.73  0.43  1.0
  Ga  Ga7  1  0.8  0.0  0.43  1.0
  Ga  Ga8  1  0.0  0.0  0.48  1.0
  Ga  Ga9  1  0.4  0.89  0.48  1.0

data_Tl3Ga5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.9
_cell_length_b   8.81
_cell_length_c   8.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Ga5
_chemical_formula_sum   'Tl6 Ga10'
_cell_volume   396.5
_cell_formula_units_Z   2
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  0.43  0.25  0.03  1.0
  Tl  Tl1  1  0.43  0.5  0.0  1.0
  Tl  Tl2  1  0.43  0.65  0.6  1.0
  Tl  Tl3  1  0.48  0.31  0.0  1.0
  Tl  Tl4  1  0.48  0.35  0.6  1.0
  Tl  Tl5  1  0.48  0.75  0.03  1.0
  Ga  Ga6  1  -0.0  0.4  0.54  1.0
  Ga  Ga7  1  -0.0  0.0  0.08  1.0
  Ga  Ga8  1  0.43  0.0  0.73  1.0
  Ga  Ga9  1  0.43  0.6  0.89  1.0
  Ga  Ga10  1  0.43  0.8  0.0  1.0
  Ga  Ga11  1  0.48  0.0  0.0  1.0
  Ga  Ga12  1  0.48  0.4  0.89  1.0
  Ga  Ga13  1  0.48  1.0  0.73  1.0
  Ga  Ga14  1  0.95  0.0  0.08  1.0
  Ga  Ga15  1  0.95  0.4  0.54  1.0

Tl Tl Tl Tl Tl Tl Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga
Tl Tl Tl Tl Tl Tl Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga 0 4 o o o 0 14 o o o 1 15 o o o 1 9 o o o 1 6 o o o 1 10 o o o 1 2 o o o 2 9 o o o 2 13 o + o 2 10 o o o 2 12 + o o 2 11 o o o 3 15 o - o 3 10 o - o 5 13 o o o 5 10 o - o 6 9 o o + 7 8 o o - 10 13 o + o 11 12 + o o 13 14 + o o 