data_NbFeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.26
_cell_length_c   2.76
_cell_angle_alpha   80.2
_cell_angle_beta   74.67
_cell_angle_gamma   25.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFeW
_chemical_formula_sum   'Nb1 Fe1 W1'
_cell_volume   44.55
_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  Nb1  1  0.71  0.16  0.89  1.0
  Fe  Fe0  1  0.71  0.16  1.0  1.0
  W  W2  1  0.71  0.16  0.19  1.0

data_NbFeW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.43
_cell_length_b   12.04
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   128.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbFeW
_chemical_formula_sum   'Nb2 Fe2 W2'
_cell_volume   89.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.24  0.0  0.4  1.0
  Fe  Fe1  2  0.13  0.0  0.29  1.0
  W  W2  2  0.43  0.5  0.09  1.0

Nb Fe W
Nb Fe W 0 1 o o o 1 2 o o + 