data_TiGa2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   138.85
_cell_angle_beta   129.29
_cell_angle_gamma   67.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2W
_chemical_formula_sum   'Ti1 Ga2 W1'
_cell_volume   62.0
_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  Ti2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.75  0.0  0.08  1.0
  Ga  Ga1  1  0.0  0.13  0.07  1.0
  W  W3  1  0.0  0.0  0.15  1.0

data_TiGa2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.27
_cell_length_c   4.98
_cell_angle_alpha   115.35
_cell_angle_beta   110.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2W
_chemical_formula_sum   'Ti1 Ga2 W1'
_cell_volume   62.0
_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  0.67  0.92  0.67  1.0
  Ga  Ga2  1  0.93  0.07  0.07  1.0
  W  W3  1  0.85  0.85  0.85  1.0

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