data_NaIrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   152.82
_cell_angle_beta   131.75
_cell_angle_gamma   56.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIrOs2
_chemical_formula_sum   'Na1 Ir1 Os2'
_cell_volume   64.4
_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  0.0  0.0  0.53  1.0
  Ir  Ir0  1  0.0  0.35  0.31  1.0
  Os  Os2  1  0.0  0.35  0.73  1.0
  Os  Os3  1  0.0  0.0  0.64  1.0

data_NaIrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.7
_cell_length_c   5.75
_cell_angle_alpha   114.13
_cell_angle_beta   103.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIrOs2
_chemical_formula_sum   'Na1 Ir1 Os2'
_cell_volume   64.4
_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  0.47  0.47  0.47  1.0
  Os  Os1  1  0.27  0.62  0.62  1.0
  Os  Os2  1  0.36  0.36  0.36  1.0
  Ir  Ir3  1  0.69  0.04  0.04  1.0

Na Ir Os Os