data_TiGaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   141.92
_cell_angle_beta   129.25
_cell_angle_gamma   65.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaW2
_chemical_formula_sum   'Ti1 Ga1 W2'
_cell_volume   63.72
_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  0.56  1.0
  Ga  Ga0  1  0.67  0.0  0.3  1.0
  W  W2  1  0.67  0.0  0.04  1.0
  W  W3  1  0.0  0.0  0.07  1.0

data_TiGaW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.4
_cell_length_c   5.13
_cell_angle_alpha   115.37
_cell_angle_beta   109.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaW2
_chemical_formula_sum   'Ti1 Ga1 W2'
_cell_volume   63.72
_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  0.56  0.56  1.0
  Ga  Ga1  1  0.0  0.3  0.63  1.0
  W  W2  1  0.0  0.04  0.37  1.0
  W  W3  1  0.0  0.07  0.07  1.0

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