data_Sr2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   18.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Nb
_chemical_formula_sum   'Sr16 Nb8'
_cell_volume   923.13
_cell_formula_units_Z   8
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
  Sr  Sr8  1  0.0  0.34  0.0  1.0
  Sr  Sr9  1  0.76  0.17  0.86  1.0
  Sr  Sr10  1  0.76  0.17  0.57  1.0
  Sr  Sr11  1  0.0  0.34  0.29  1.0
  Sr  Sr12  1  0.88  0.26  0.43  1.0
  Sr  Sr13  1  0.76  0.0  0.43  1.0
  Sr  Sr14  1  0.12  0.26  0.43  1.0
  Sr  Sr15  1  0.88  0.26  0.0  1.0
  Sr  Sr16  1  0.76  0.0  0.0  1.0
  Sr  Sr17  1  0.12  0.26  0.0  1.0
  Sr  Sr18  1  0.9  0.55  0.15  1.0
  Sr  Sr19  1  0.0  0.92  0.15  1.0
  Sr  Sr20  1  0.1  0.55  0.15  1.0
  Sr  Sr21  1  0.86  0.96  0.72  1.0
  Sr  Sr22  1  0.76  0.59  0.72  1.0
  Sr  Sr23  1  0.66  0.96  0.72  1.0
  Nb  Nb0  1  0.0  0.0  0.51  1.0
  Nb  Nb1  1  0.0  0.0  0.35  1.0
  Nb  Nb2  1  0.0  0.0  0.08  1.0
  Nb  Nb3  1  0.0  0.0  0.78  1.0
  Nb  Nb4  1  0.0  0.34  0.8  1.0
  Nb  Nb5  1  0.76  0.17  0.07  1.0
  Nb  Nb6  1  0.76  0.17  0.23  1.0
  Nb  Nb7  1  0.0  0.34  0.63  1.0

data_Sr2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.52
_cell_length_b   7.52
_cell_length_c   18.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Nb
_chemical_formula_sum   'Sr16 Nb8'
_cell_volume   923.13
_cell_formula_units_Z   8
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
  Sr  Sr0  1  0.0  0.34  0.0  1.0
  Sr  Sr1  1  0.0  0.34  0.29  1.0
  Sr  Sr2  1  0.0  0.92  0.15  1.0
  Sr  Sr3  1  0.1  0.55  0.15  1.0
  Sr  Sr4  1  0.12  0.26  0.0  1.0
  Sr  Sr5  1  0.12  0.26  0.43  1.0
  Sr  Sr6  1  0.66  0.96  0.72  1.0
  Sr  Sr7  1  0.76  0.0  -0.0  1.0
  Sr  Sr8  1  0.76  0.0  0.43  1.0
  Sr  Sr9  1  0.76  0.17  0.57  1.0
  Sr  Sr10  1  0.76  0.17  0.86  1.0
  Sr  Sr11  1  0.76  0.59  0.72  1.0
  Sr  Sr12  1  0.86  0.96  0.72  1.0
  Sr  Sr13  1  0.88  0.26  -0.0  1.0
  Sr  Sr14  1  0.88  0.26  0.43  1.0
  Sr  Sr15  1  0.9  0.55  0.15  1.0
  Nb  Nb16  1  0.0  0.0  0.08  1.0
  Nb  Nb17  1  0.0  0.0  0.35  1.0
  Nb  Nb18  1  0.0  0.0  0.51  1.0
  Nb  Nb19  1  0.0  0.0  0.78  1.0
  Nb  Nb20  1  0.0  0.34  0.63  1.0
  Nb  Nb21  1  0.0  0.34  0.8  1.0
  Nb  Nb22  1  0.76  0.17  0.07  1.0
  Nb  Nb23  1  0.76  0.17  0.23  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Nb Nb Nb Nb Nb Nb Nb Nb