data_NbSb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   143.32
_cell_angle_beta   130.18
_cell_angle_gamma   63.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb2W
_chemical_formula_sum   'Nb1 Sb2 W1'
_cell_volume   80.07
_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  0.53  1.0
  Sb  Sb1  1  0.77  0.0  0.1  1.0
  Sb  Sb2  1  0.0  0.0  1.0  1.0
  W  W3  1  0.77  0.0  0.71  1.0

data_NbSb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.73
_cell_length_c   5.62
_cell_angle_alpha   114.91
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb2W
_chemical_formula_sum   'Nb1 Sb2 W1'
_cell_volume   80.07
_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  0.53  0.53  1.0
  Sb  Sb1  1  0.0  0.1  0.33  1.0
  Sb  Sb2  1  0.0  1.0  1.0  1.0
  W  W3  1  0.0  0.71  0.95  1.0

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