data_Nb3W5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3W5
_chemical_formula_sum   'Nb3 W5'
_cell_volume   134.18
_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
  Nb  Nb1  1  0.22  0.28  0.28  1.0
  Nb  Nb2  1  0.22  0.72  0.28  1.0
  W  W3  1  0.22  0.0  0.0  1.0
  W  W4  1  0.61  0.28  0.0  1.0
  W  W5  1  0.61  0.72  0.0  1.0
  W  W6  1  0.63  0.0  0.28  1.0
  W  W7  1  0.82  0.0  0.28  1.0

data_Nb3W5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   109.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3W5
_chemical_formula_sum   'Nb3 W5'
_cell_volume   134.18
_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
  Nb  Nb1  1  0.28  0.22  0.28  1.0
  Nb  Nb2  1  0.28  0.22  0.72  1.0
  W  W3  1  -0.0  0.61  0.28  1.0
  W  W4  1  -0.0  0.61  0.72  1.0
  W  W5  1  -0.0  0.22  0.0  1.0
  W  W6  1  0.28  0.63  0.0  1.0
  W  W7  1  0.28  0.82  0.0  1.0

Nb Nb Nb W W W W W