data_NbOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   4.34
_cell_angle_alpha   94.86
_cell_angle_beta   94.86
_cell_angle_gamma   27.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOsCl2
_chemical_formula_sum   'Nb1 Os1 Cl2'
_cell_volume   86.36
_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  Nb2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.22  0.0  0.16  1.0
  Cl  Cl0  1  0.17  0.0  0.36  1.0
  Cl  Cl1  1  0.28  0.0  0.97  1.0

data_NbOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.34
_cell_length_c   6.6
_cell_angle_alpha   94.86
_cell_angle_beta   103.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbOsCl2
_chemical_formula_sum   'Nb1 Os1 Cl2'
_cell_volume   86.36
_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  0.0  1.0
  Os  Os1  1  0.0  0.16  0.22  1.0
  Cl  Cl2  1  0.0  0.36  0.17  1.0
  Cl  Cl3  1  0.0  0.97  0.28  1.0

Nb Os Cl Cl
Nb Os Cl Cl 0 3 o o - 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o - 