data_NiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW2
_chemical_formula_sum   'Ni2 W4'
_cell_volume   86.22
_cell_formula_units_Z   2
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  0.5  0.32  1.0
  Ni  Ni1  1  0.17  0.25  0.97  1.0
  W  W2  1  0.0  0.0  0.65  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  W  W4  1  0.0  0.5  0.97  1.0
  W  W5  1  0.17  0.25  0.32  1.0

data_NiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW2
_chemical_formula_sum   'Ni2 W4'
_cell_volume   86.22
_cell_formula_units_Z   2
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  0.5  0.32  1.0
  Ni  Ni1  1  0.17  0.25  0.97  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.65  1.0
  W  W4  1  0.0  0.5  0.97  1.0
  W  W5  1  0.17  0.25  0.32  1.0

Ni Ni W W W W