data_NiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.44
_cell_length_c   2.67
_cell_angle_alpha   80.9
_cell_angle_beta   75.39
_cell_angle_gamma   23.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW2
_chemical_formula_sum   'Ni1 W2'
_cell_volume   43.23
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.65  0.11  0.24  1.0
  W  W2  1  0.65  0.11  0.2  1.0

data_NiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   6.44
_cell_angle_alpha   99.1
_cell_angle_beta   99.1
_cell_angle_gamma   103.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW2
_chemical_formula_sum   'Ni1 W2'
_cell_volume   43.23
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.11  0.96  0.76  1.0
  W  W2  1  0.11  1.0  0.76  1.0

Ni W W