data_HfSnW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   128.97
_cell_angle_beta   128.97
_cell_angle_gamma   75.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnW2
_chemical_formula_sum   'Hf1 Sn1 W2'
_cell_volume   73.58
_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  0.15  0.98  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.15  0.0  0.98  1.0
  W  W3  1  0.0  0.0  0.97  1.0

data_HfSnW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.0
_cell_angle_alpha   115.52
_cell_angle_beta   115.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSnW2
_chemical_formula_sum   'Hf1 Sn1 W2'
_cell_volume   73.58
_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  0.83  0.98  0.83  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.97  0.97  0.97  1.0
  W  W3  1  0.98  0.83  0.83  1.0

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