data_NbSn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2W
_chemical_formula_sum   'Nb1 Sn2 W1'
_cell_volume   78.32
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.75  0.0  0.28  1.0
  Sn  Sn2  1  0.75  0.0  0.71  1.0
  W  W3  1  0.0  0.0  0.5  1.0

data_NbSn2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.04
_cell_length_b   8.99
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   109.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NbSn2W
_chemical_formula_sum   'Nb1 Sn2 W1'
_cell_volume   78.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Sn  Sn1  2  0.75  0.28  0.0  1.0
  W  W2  1  0.0  0.5  0.0  1.0

Nb Sn Sn W
Nb Sn Sn W 0 2 - o - 0 0 o + o 0 0 + o o 0 1 - o o 0 1 o o o 1 3 + o o 2 3 + o o 