data_Nb2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.98
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2OsCl
_chemical_formula_sum   'Nb2 Os1 Cl1'
_cell_volume   69.83
_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  Nb1  1  0.94  0.49  0.16  1.0
  Nb  Nb2  1  0.95  0.49  0.66  1.0
  Os  Os3  1  0.45  0.0  0.91  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Nb2OsCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.99
_cell_length_b   2.98
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Nb2OsCl
_chemical_formula_sum   'Nb2 Os1 Cl1'
_cell_volume   69.83
_cell_formula_units_Z   1
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  1  0.94  0.5  0.16  1.0
  Nb  Nb1  1  0.95  0.5  0.66  1.0
  Os  Os2  1  0.45  0.0  0.91  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Nb Nb Os Cl