data_Na2ZrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   152.44
_cell_angle_beta   142.41
_cell_angle_gamma   47.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrOs
_chemical_formula_sum   'Na2 Zr1 Os1'
_cell_volume   87.74
_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  0.62  0.0  0.67  1.0
  Na  Na1  1  0.0  0.19  0.55  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.21  1.0

data_Na2ZrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.37
_cell_length_c   6.78
_cell_angle_alpha   108.8
_cell_angle_beta   103.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrOs
_chemical_formula_sum   'Na2 Zr1 Os1'
_cell_volume   87.74
_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  0.45  0.64  0.64  1.0
  Na  Na1  1  0.95  0.33  0.95  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.79  0.79  0.79  1.0

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