data_HfAgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   143.17
_cell_angle_beta   132.09
_cell_angle_gamma   61.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgW2
_chemical_formula_sum   'Hf1 Ag1 W2'
_cell_volume   70.99
_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  0.0  0.0  0.67  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.72  0.0  0.37  1.0
  W  W3  1  0.0  0.21  0.3  1.0

data_HfAgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.42
_cell_length_c   5.44
_cell_angle_alpha   113.96
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAgW2
_chemical_formula_sum   'Hf1 Ag1 W2'
_cell_volume   70.99
_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  0.33  0.33  0.33  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.35  0.63  0.35  1.0
  W  W3  1  0.7  0.91  0.91  1.0

Hf Ag W W
Hf Ag W W 0 2 - o o 1 3 o o o 