data_Fe2NiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiW
_chemical_formula_sum   'Fe2 Ni1 W1'
_cell_volume   50.91
_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
  Fe  Fe0  1  0.0  0.0  0.69  1.0
  Fe  Fe1  1  0.63  0.0  0.81  1.0
  Ni  Ni2  1  0.0  0.0  0.99  1.0
  W  W3  1  0.63  0.0  0.98  1.0

data_Fe2NiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   2.59
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiW
_chemical_formula_sum   'Fe2 Ni1 W1'
_cell_volume   50.91
_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
  Fe  Fe0  1  0.0  0.0  0.69  1.0
  Fe  Fe1  1  0.63  0.0  0.81  1.0
  Ni  Ni2  1  0.0  0.0  0.99  1.0
  W  W3  1  0.63  0.0  0.98  1.0

Fe Fe Ni W
Fe Fe Ni W 0 1 - o o 1 3 o o o 2 3 - o o 