data_Nb5Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   8.4
_cell_length_c   8.4
_cell_angle_alpha   19.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Sb
_chemical_formula_sum   'Nb5 Sb1'
_cell_volume   113.76
_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  0.45  1.0
  Nb  Nb1  1  0.0  0.0  0.86  1.0
  Nb  Nb2  1  0.0  0.0  0.38  1.0
  Nb  Nb3  1  0.43  0.0  0.36  1.0
  Nb  Nb4  1  0.43  0.0  0.87  1.0
  Sb  Sb5  1  0.43  0.0  0.83  1.0

data_Nb5Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.85
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   99.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Sb
_chemical_formula_sum   'Nb5 Sb1'
_cell_volume   113.76
_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  0.13  0.43  0.13  1.0
  Nb  Nb1  1  0.14  0.0  0.14  1.0
  Nb  Nb2  1  0.55  0.0  0.55  1.0
  Nb  Nb3  1  0.62  0.0  0.62  1.0
  Nb  Nb4  1  0.64  0.43  0.64  1.0
  Sb  Sb5  1  0.17  0.43  0.17  1.0

Nb Nb Nb Nb Nb Sb
Nb Nb Nb Nb Nb Sb 0 2 o o o 0 3 o o o 1 5 o o o 1 4 o o o 2 3 o o o 4 5 o o o 