data_NbAlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlW
_chemical_formula_sum   'Nb1 Al1 W1'
_cell_volume   50.36
_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  0.0  0.64  0.35  1.0
  Al  Al0  1  0.0  0.0  0.13  1.0
  W  W2  1  0.42  0.82  0.86  1.0

data_NbAlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlW
_chemical_formula_sum   'Nb1 Al1 W1'
_cell_volume   50.36
_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  0.64  0.35  1.0
  Al  Al1  1  0.0  0.0  0.13  1.0
  W  W2  1  0.42  0.82  0.86  1.0

Nb Al W
Nb Al W 0 1 o + o 1 2 o o - 1 2 o - - 1 2 - - - 2 2 + + o 2 2 o + o 2 2 + o o 