data_HfNbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   2.87
_cell_angle_alpha   100.38
_cell_angle_beta   100.38
_cell_angle_gamma   116.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbW2
_chemical_formula_sum   'Hf1 Nb1 W2'
_cell_volume   70.74
_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  0.84  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.93  0.69  0.35  1.0
  W  W3  1  0.93  0.31  0.35  1.0

data_HfNbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   117.05
_cell_angle_beta   100.38
_cell_angle_gamma   99.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbW2
_chemical_formula_sum   'Hf1 Nb1 W2'
_cell_volume   70.74
_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  0.0  0.0  0.84  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.04  0.69  0.62  1.0
  W  W3  1  0.66  0.31  0.24  1.0

Hf Nb W W
Hf Nb W W 0 1 + o o 0 2 o - o 0 3 o o o 1 2 - - o 1 2 - - - 2 3 o o o 