data_GaW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaW3
_chemical_formula_sum   'Ga1 W3'
_cell_volume   64.43
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.63  1.0
  W  W2  1  0.42  0.82  0.25  1.0
  W  W3  1  0.42  0.82  0.02  1.0

data_GaW3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   2.83
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaW3
_chemical_formula_sum   'Ga2 W6'
_cell_volume   128.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ga  Ga0  2  0.0  0.0  0.0  1.0
  W  W1  2  0.0  0.0  0.63  1.0
  W  W2  2  0.41  0.0  0.02  1.0
  W  W3  2  0.41  0.0  0.25  1.0

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