data_Fe2NiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.4
_cell_angle_alpha   100.53
_cell_angle_beta   100.53
_cell_angle_gamma   34.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiW
_chemical_formula_sum   'Fe2 Ni1 W1'
_cell_volume   48.08
_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  0.05  0.0  0.11  1.0
  Fe  Fe1  1  0.12  0.0  0.02  1.0
  Ni  Ni2  1  0.79  0.0  0.11  1.0
  W  W3  1  0.5  0.0  0.23  1.0

data_Fe2NiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.4
_cell_length_c   4.44
_cell_angle_alpha   100.53
_cell_angle_beta   107.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2NiW
_chemical_formula_sum   'Fe2 Ni1 W1'
_cell_volume   48.08
_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  0.02  0.12  1.0
  Fe  Fe1  1  0.0  0.11  0.05  1.0
  Ni  Ni2  1  0.0  0.11  0.79  1.0
  W  W3  1  0.0  0.23  0.5  1.0

Fe Fe Ni W