data_NbSnW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   2.87
_cell_angle_alpha   101.52
_cell_angle_beta   101.52
_cell_angle_gamma   117.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnW2
_chemical_formula_sum   'Nb1 Sn1 W2'
_cell_volume   71.03
_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  0.85  0.0  0.0  1.0
  W  W2  1  0.87  0.65  0.32  1.0
  W  W3  1  0.87  0.35  0.32  1.0

data_NbSnW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.3
_cell_length_c   5.5
_cell_angle_alpha   116.69
_cell_angle_beta   101.52
_cell_angle_gamma   97.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnW2
_chemical_formula_sum   'Nb1 Sn1 W2'
_cell_volume   71.03
_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  0.0  0.0  0.85  1.0
  W  W2  1  0.68  0.35  0.22  1.0
  W  W3  1  0.97  0.65  0.52  1.0

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