data_HfBW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBW
_chemical_formula_sum   'Hf1 B1 W1'
_cell_volume   45.83
_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  0.92  0.11  0.8  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.21  0.0  1.0

data_HfBW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.84
_cell_length_c   3.84
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBW
_chemical_formula_sum   'Hf1 B1 W1'
_cell_volume   45.83
_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  0.8  0.92  0.11  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  W  W2  1  -0.0  -0.0  0.21  1.0

Hf B W
Hf B W 0 1 + o + 0 2 + o + 1 2 o o o 