data_Cd2GaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   150.43
_cell_angle_beta   127.96
_cell_angle_gamma   61.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaW
_chemical_formula_sum   'Cd2 Ga1 W1'
_cell_volume   75.49
_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
  Cd  Cd0  1  0.0  0.0  0.9  1.0
  Cd  Cd1  1  0.48  0.0  0.59  1.0
  Ga  Ga2  1  0.0  0.0  0.17  1.0
  W  W3  1  0.0  0.55  0.35  1.0

data_Cd2GaW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.09
_cell_length_c   5.81
_cell_angle_alpha   116.02
_cell_angle_beta   104.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaW
_chemical_formula_sum   'Cd2 Ga1 W1'
_cell_volume   75.49
_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
  Cd  Cd0  1  0.0  0.59  0.11  1.0
  Cd  Cd1  1  0.0  0.9  0.9  1.0
  Ga  Ga2  1  0.0  0.17  0.17  1.0
  W  W3  1  0.45  0.8  0.8  1.0

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