data_Ti2ZnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.96
_cell_angle_alpha   100.05
_cell_angle_beta   100.05
_cell_angle_gamma   34.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ZnGa
_chemical_formula_sum   'Ti2 Zn1 Ga1'
_cell_volume   65.3
_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  0.78  0.0  0.23  1.0
  Ti  Ti2  1  0.64  0.0  0.65  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.21  0.0  0.44  1.0

data_Ti2ZnGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.88
_cell_length_c   4.96
_cell_angle_alpha   100.05
_cell_angle_beta   90.0
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ZnGa
_chemical_formula_sum   'Ti2 Zn1 Ga1'
_cell_volume   65.3
_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  0.22  0.77  1.0
  Ti  Ti1  1  0.0  0.36  0.35  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.79  0.56  1.0

Ti Ti Zn Ga
Ti Ti Zn Ga 0 2 + o o 0 1 o o o 0 3 + o o 1 3 o o o 1 2 + o + 2 3 o o o 