data_Hf2ScW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   145.28
_cell_angle_beta   127.79
_cell_angle_gamma   64.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScW
_chemical_formula_sum   'Hf2 Sc1 W1'
_cell_volume   83.56
_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  0.71  0.0  0.73  1.0
  Hf  Hf1  1  0.0  0.52  0.12  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.85  1.0

data_Hf2ScW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.04
_cell_length_c   5.73
_cell_angle_alpha   116.1
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScW
_chemical_formula_sum   'Hf2 Sc1 W1'
_cell_volume   83.56
_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  0.88  0.4  0.4  1.0
  Hf  Hf1  1  0.98  0.27  0.98  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.15  0.15  0.15  1.0

Hf Hf Sc W