data_Cd2GaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.45
_cell_angle_alpha   99.34
_cell_angle_beta   99.34
_cell_angle_gamma   32.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaW
_chemical_formula_sum   'Cd2 Ga1 W1'
_cell_volume   74.35
_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  0.13  0.0  0.36  1.0
  Cd  Cd1  1  0.71  0.0  0.13  1.0
  Ga  Ga2  1  0.38  0.0  0.39  1.0
  W  W3  1  0.0  0.0  0.54  1.0

data_Cd2GaW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.05
_cell_length_c   5.45
_cell_angle_alpha   99.34
_cell_angle_beta   90.0
_cell_angle_gamma   106.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2GaW
_chemical_formula_sum   'Cd2 Ga1 W1'
_cell_volume   74.35
_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  0.29  0.87  1.0
  Cd  Cd1  1  0.0  0.87  0.64  1.0
  Ga  Ga2  1  0.0  0.62  0.61  1.0
  W  W3  1  0.0  1.0  0.46  1.0

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