data_HfSnW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnW2
_chemical_formula_sum   'Hf1 Sn1 W2'
_cell_volume   69.44
_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  0.86  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.43  0.84  0.65  1.0
  W  W3  1  0.43  0.16  0.65  1.0

data_HfSnW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   104.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnW2
_chemical_formula_sum   'Hf1 Sn1 W2'
_cell_volume   69.44
_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  0.86  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.65  0.43  0.16  1.0
  W  W3  1  0.65  0.43  0.84  1.0

Hf Sn W W
Hf Sn W W 0 1 + o o 2 3 o + o 