data_TiGa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   2.76
_cell_angle_alpha   95.47
_cell_angle_beta   95.47
_cell_angle_gamma   113.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2Mo
_chemical_formula_sum   'Ti1 Ga2 Mo1'
_cell_volume   61.74
_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  Ti3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.13  0.93  0.36  1.0
  Ga  Ga1  1  0.13  0.07  0.36  1.0
  Mo  Mo2  1  0.74  0.0  0.0  1.0

data_TiGa2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   113.12
_cell_angle_beta   95.47
_cell_angle_gamma   95.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2Mo
_chemical_formula_sum   'Ti1 Ga2 Mo1'
_cell_volume   61.74
_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
  Ga  Ga1  1  0.36  0.13  0.93  1.0
  Ga  Ga2  1  0.36  0.13  0.07  1.0
  Mo  Mo3  1  0.0  0.74  0.0  1.0

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