data_HfCuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.57
_cell_length_c   2.81
_cell_angle_alpha   79.36
_cell_angle_beta   76.09
_cell_angle_gamma   24.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCuW
_chemical_formula_sum   'Hf1 Cu1 W1'
_cell_volume   49.27
_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  0.85  0.12  0.26  1.0
  Cu  Cu0  1  0.85  0.12  0.06  1.0
  W  W2  1  0.85  0.12  0.27  1.0

data_HfCuW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.69
_cell_length_b   12.6
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   131.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCuW
_chemical_formula_sum   'Hf2 Cu2 W2'
_cell_volume   98.54
_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  0.35  0.5  0.11  1.0
  Cu  Cu1  2  0.35  0.5  0.91  1.0
  W  W2  2  0.35  0.5  0.12  1.0

Hf Cu W