data_Mg2TiGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.29
_cell_angle_alpha   102.68
_cell_angle_beta   102.68
_cell_angle_gamma   34.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TiGa
_chemical_formula_sum   'Mg2 Ti1 Ga1'
_cell_volume   76.87
_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
  Mg  Mg1  1  0.93  0.0  0.11  1.0
  Mg  Mg2  1  0.56  0.0  0.88  1.0
  Ti  Ti3  1  0.24  0.0  0.42  1.0
  Ga  Ga0  1  0.05  0.0  0.46  1.0

data_Mg2TiGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.16
_cell_length_c   5.29
_cell_angle_alpha   102.68
_cell_angle_beta   90.0
_cell_angle_gamma   107.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TiGa
_chemical_formula_sum   'Mg2 Ti1 Ga1'
_cell_volume   76.87
_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
  Mg  Mg0  1  0.0  0.07  0.89  1.0
  Mg  Mg1  1  0.0  0.44  0.12  1.0
  Ti  Ti2  1  0.0  0.76  0.58  1.0
  Ga  Ga3  1  0.0  0.95  0.54  1.0

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