data_NiMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   2.67
_cell_angle_alpha   100.22
_cell_angle_beta   100.22
_cell_angle_gamma   116.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMoW2
_chemical_formula_sum   'Ni1 Mo1 W2'
_cell_volume   59.95
_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  Ni1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.71  0.0  0.0  1.0
  W  W2  1  0.91  0.2  0.25  1.0
  W  W3  1  0.91  0.8  0.25  1.0

data_NiMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   116.74
_cell_angle_beta   100.22
_cell_angle_gamma   100.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMoW2
_chemical_formula_sum   'Ni1 Mo1 W2'
_cell_volume   59.95
_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
  Mo  Mo1  1  0.0  0.71  0.0  1.0
  W  W2  1  0.25  0.91  0.2  1.0
  W  W3  1  0.25  0.91  0.8  1.0

Ni Mo W W