data_TlIn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Ga
_chemical_formula_sum   'Tl1 In2 Ga1'
_cell_volume   105.23
_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  0.68  0.68  0.85  1.0
  In  In1  1  0.68  0.68  0.2  1.0
  In  In2  1  0.0  0.0  0.25  1.0
  Ga  Ga0  1  0.0  0.0  0.14  1.0

data_TlIn2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlIn2Ga
_chemical_formula_sum   'Tl2 In4 Ga2'
_cell_volume   210.46
_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  0.18  0.5  0.85  1.0
  In  In1  2  0.0  0.0  0.25  1.0
  In  In2  2  0.18  0.5  0.2  1.0
  Ga  Ga3  2  0.0  0.0  0.14  1.0

Tl In In Ga
Tl In In Ga 0 3 o + + 0 3 + o + 0 3 + + + 0 0 + o o 0 0 o + o 0 1 o o + 1 3 + + o 1 2 + + o 2 3 o o o 