data_NbFe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.55
_cell_angle_alpha   100.36
_cell_angle_beta   100.36
_cell_angle_gamma   33.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2W
_chemical_formula_sum   'Nb1 Fe2 W1'
_cell_volume   54.83
_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
  Nb  Nb2  1  0.03  0.0  0.05  1.0
  Fe  Fe0  1  0.3  0.0  0.36  1.0
  Fe  Fe1  1  0.36  0.0  0.19  1.0
  W  W3  1  0.74  0.0  0.58  1.0

data_NbFe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.55
_cell_length_c   4.72
_cell_angle_alpha   100.36
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2W
_chemical_formula_sum   'Nb1 Fe2 W1'
_cell_volume   54.83
_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
  Nb  Nb0  1  0.0  0.05  0.03  1.0
  Fe  Fe1  1  0.0  0.19  0.36  1.0
  Fe  Fe2  1  0.0  0.36  0.3  1.0
  W  W3  1  0.0  0.58  0.74  1.0

Nb Fe Fe W