data_Na2ZnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   10.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnOs
_chemical_formula_sum   'Na2 Zn1 Os1'
_cell_volume   73.69
_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  0.5  0.0  0.28  1.0
  Na  Na1  1  0.0  0.0  0.61  1.0
  Zn  Zn3  1  0.0  0.0  0.92  1.0
  Os  Os2  1  0.5  0.0  0.07  1.0

data_Na2ZnOs
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.76
_cell_length_b   10.59
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   114.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Na2ZnOs
_chemical_formula_sum   'Na2 Zn1 Os1'
_cell_volume   73.69
_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
  Na  Na0  1  0.0  0.39  0.0  1.0
  Na  Na1  1  0.5  0.72  0.0  1.0
  Zn  Zn2  1  0.0  0.08  0.0  1.0
  Os  Os3  1  0.5  0.93  0.0  1.0

Na Na Zn Os
Na Na Zn Os 0 0 + + o 0 0 o + o 0 0 + o o 0 3 o o o 1 1 + + o 1 1 o + o 1 1 + o o 1 2 o o o 2 3 - o + 2 3 o o + 