data_GaW3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   8.74
_cell_angle_alpha   154.1
_cell_angle_beta   154.1
_cell_angle_gamma   36.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaW3
_chemical_formula_sum   'Ga2 W6'
_cell_volume   127.05
_cell_formula_units_Z   2
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  0.23  1.0
  Ga  Ga1  1  0.0  0.0  0.34  1.0
  W  W2  1  0.0  0.96  0.0  1.0
  W  W3  1  0.96  0.0  0.0  1.0
  W  W4  1  0.0  0.96  0.14  1.0
  W  W5  1  0.96  0.0  0.14  1.0
  W  W6  1  0.0  0.0  0.04  1.0
  W  W7  1  0.0  0.0  0.53  1.0

data_GaW3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   8.74
_cell_angle_alpha   90.0
_cell_angle_beta   108.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaW3
_chemical_formula_sum   'Ga4 W12'
_cell_volume   254.11
_cell_formula_units_Z   4
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  0.66  1.0
  Ga  Ga1  2  0.0  0.0  0.77  1.0
  W  W2  4  0.48  0.48  0.96  1.0
  W  W3  4  0.48  0.52  0.81  1.0
  W  W4  2  0.0  0.0  0.47  1.0
  W  W5  2  0.0  0.0  0.96  1.0

Ga Ga W W W W W W