data_Na2OsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2OsCl
_chemical_formula_sum   'Na2 Os1 Cl1'
_cell_volume   84.22
_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
  Na  Na1  1  0.72  0.0  0.55  1.0
  Na  Na2  1  0.0  0.0  0.06  1.0
  Os  Os3  1  0.72  0.0  0.64  1.0
  Cl  Cl0  1  0.0  0.0  0.49  1.0

data_Na2OsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2OsCl
_chemical_formula_sum   'Na2 Os1 Cl1'
_cell_volume   84.22
_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
  Na  Na0  1  0.0  0.0  0.06  1.0
  Na  Na1  1  0.72  0.0  0.55  1.0
  Os  Os2  1  0.72  0.0  0.64  1.0
  Cl  Cl3  1  0.0  0.0  0.49  1.0

Na Na Os Cl
Na Na Os Cl 0 2 o o o 0 3 + o o 1 1 + + o 1 1 o + o 1 1 + o o 