data_NbSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb2
_chemical_formula_sum   'Nb2 Sb4'
_cell_volume   137.01
_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  0.58  0.49  0.46  1.0
  Nb  Nb1  1  0.0  0.98  0.49  1.0
  Sb  Sb2  1  0.0  0.0  0.97  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Sb  Sb4  1  0.58  0.49  0.49  1.0
  Sb  Sb5  1  0.0  0.98  0.46  1.0

data_NbSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb2
_chemical_formula_sum   'Nb2 Sb4'
_cell_volume   137.01
_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  0.98  0.49  1.0
  Nb  Nb1  1  0.58  0.49  0.46  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.97  1.0
  Sb  Sb4  1  0.0  0.98  0.46  1.0
  Sb  Sb5  1  0.58  0.49  0.49  1.0

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