data_HfCuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   143.74
_cell_angle_beta   131.68
_cell_angle_gamma   61.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCuW2
_chemical_formula_sum   'Hf1 Cu1 W2'
_cell_volume   66.2
_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  Hf1  1  0.0  0.0  0.57  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.66  0.0  0.24  1.0
  W  W3  1  0.0  0.18  0.34  1.0

data_HfCuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.36
_cell_length_c   5.33
_cell_angle_alpha   114.16
_cell_angle_beta   108.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCuW2
_chemical_formula_sum   'Hf1 Cu1 W2'
_cell_volume   66.2
_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  Hf0  1  0.43  0.43  0.43  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.42  0.76  0.42  1.0
  W  W3  1  0.66  0.85  0.85  1.0

Hf Cu W W