data_HfCd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   135.69
_cell_angle_beta   135.69
_cell_angle_gamma   64.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2W
_chemical_formula_sum   'Hf1 Cd2 W1'
_cell_volume   77.03
_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
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.05  0.3  1.0
  Cd  Cd1  1  0.05  0.0  0.3  1.0
  W  W3  1  0.0  0.0  0.59  1.0

data_HfCd2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   122.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCd2W
_chemical_formula_sum   'Hf2 Cd4 W2'
_cell_volume   154.06
_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
  Hf  Hf0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  4  0.48  0.48  0.25  1.0
  W  W2  2  0.0  0.0  0.59  1.0

Hf Cd Cd W
Hf Cd Cd W 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 