data_NbOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   8.98
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOs3
_chemical_formula_sum   'Nb4 Os12'
_cell_volume   243.02
_cell_formula_units_Z   4
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  0.42  0.73  0.44  1.0
  Nb  Nb1  1  0.02  0.24  0.66  1.0
  Nb  Nb2  1  0.85  0.73  0.9  1.0
  Nb  Nb3  1  0.45  0.24  0.12  1.0
  Os  Os4  1  0.43  0.24  0.89  1.0
  Os  Os5  1  0.28  0.9  0.09  1.0
  Os  Os6  1  0.28  0.56  0.09  1.0
  Os  Os7  1  0.15  0.41  0.87  1.0
  Os  Os8  1  0.15  0.07  0.87  1.0
  Os  Os9  1  0.87  0.73  0.11  1.0
  Os  Os10  1  0.0  0.24  0.46  1.0
  Os  Os11  1  0.72  0.9  0.69  1.0
  Os  Os12  1  0.72  0.56  0.69  1.0
  Os  Os13  1  0.59  0.41  0.47  1.0
  Os  Os14  1  0.59  0.07  0.47  1.0
  Os  Os15  1  0.43  0.73  0.68  1.0

data_NbOs3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.87
_cell_length_b   5.56
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbOs3
_chemical_formula_sum   'Nb4 Os12'
_cell_volume   243.02
_cell_formula_units_Z   4
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  0.08  0.88  0.26  1.0
  Nb  Nb1  2  0.48  0.66  0.74  1.0
  Os  Os2  2  0.07  0.68  0.26  1.0
  Os  Os3  2  0.22  0.09  0.09  1.0
  Os  Os4  2  0.22  0.09  0.43  1.0
  Os  Os5  2  0.35  0.31  0.57  1.0
  Os  Os6  2  0.35  0.31  0.91  1.0
  Os  Os7  2  0.5  0.89  0.74  1.0

Nb Nb Nb Nb Os Os Os Os Os Os Os Os Os Os Os Os