data_TiTl2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   145.38
_cell_angle_beta   129.73
_cell_angle_gamma   62.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Ga
_chemical_formula_sum   'Ti1 Tl2 Ga1'
_cell_volume   90.58
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.52  0.55  1.0
  Tl  Tl3  1  0.77  0.0  0.53  1.0
  Ga  Ga0  1  0.0  0.0  0.08  1.0

data_TiTl2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.05
_cell_length_c   5.94
_cell_angle_alpha   115.13
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTl2Ga
_chemical_formula_sum   'Ti1 Tl2 Ga1'
_cell_volume   90.58
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.53  0.77  1.0
  Tl  Tl2  1  0.48  0.02  0.02  1.0
  Ga  Ga3  1  0.0  0.08  0.08  1.0

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