data_Nb5W3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   89.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5W3
_chemical_formula_sum   'Nb10 W6'
_cell_volume   275.43
_cell_formula_units_Z   2
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  0.03  1.0
  Nb  Nb1  1  0.0  0.72  0.3  1.0
  Nb  Nb2  1  0.64  0.7  0.61  1.0
  Nb  Nb3  1  0.86  0.7  0.61  1.0
  Nb  Nb4  1  0.0  0.28  0.3  1.0
  Nb  Nb5  1  0.25  0.0  0.59  1.0
  Nb  Nb6  1  0.64  0.0  0.91  1.0
  Nb  Nb7  1  0.86  0.0  0.91  1.0
  Nb  Nb8  1  0.64  0.3  0.61  1.0
  Nb  Nb9  1  0.86  0.3  0.61  1.0
  W  W10  1  0.25  0.0  0.03  1.0
  W  W11  1  0.25  0.73  0.3  1.0
  W  W12  1  0.65  0.0  0.3  1.0
  W  W13  1  0.86  0.0  0.3  1.0
  W  W14  1  0.25  0.27  0.3  1.0
  W  W15  1  0.0  0.0  0.57  1.0

data_Nb5W3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.5
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb5W3
_chemical_formula_sum   'Nb10 W6'
_cell_volume   275.43
_cell_formula_units_Z   2
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  2  0.0  0.28  0.3  1.0
  Nb  Nb1  2  0.64  0.3  0.61  1.0
  Nb  Nb2  2  0.86  0.3  0.61  1.0
  Nb  Nb3  1  0.0  0.0  0.03  1.0
  Nb  Nb4  1  0.25  0.0  0.59  1.0
  Nb  Nb5  1  0.64  0.0  0.91  1.0
  Nb  Nb6  1  0.86  0.0  0.91  1.0
  W  W7  2  0.25  0.27  0.3  1.0
  W  W8  1  0.0  0.0  0.57  1.0
  W  W9  1  0.25  0.0  0.03  1.0
  W  W10  1  0.65  0.0  0.3  1.0
  W  W11  1  0.86  0.0  0.3  1.0

Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb W W W W W W
Nb Nb Nb Nb Nb Nb Nb Nb Nb Nb W W W W W W 0 7 - o - 0 10 o o o 1 11 o o o 2 3 o o o 4 14 o o o 5 15 o o o 6 7 o o o 8 9 o o o 12 13 o o o 13 15 + o o 