data_NaOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   148.49
_cell_angle_beta   148.49
_cell_angle_gamma   45.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaOs2
_chemical_formula_sum   'Na2 Os4'
_cell_volume   125.0
_cell_formula_units_Z   2
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  0.0  1.0
  Na  Na1  1  0.0  0.09  0.56  1.0
  Os  Os2  1  0.0  0.0  0.32  1.0
  Os  Os3  1  0.09  0.0  0.36  1.0
  Os  Os4  1  0.0  0.0  0.93  1.0
  Os  Os5  1  0.09  0.0  0.76  1.0

data_NaOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.71
_cell_angle_alpha   105.75
_cell_angle_beta   105.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaOs2
_chemical_formula_sum   'Na2 Os4'
_cell_volume   125.0
_cell_formula_units_Z   2
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  0.0  1.0
  Na  Na1  1  0.47  0.56  0.47  1.0
  Os  Os2  1  0.32  0.32  0.32  1.0
  Os  Os3  1  0.36  0.27  0.27  1.0
  Os  Os4  1  0.76  0.67  0.67  1.0
  Os  Os5  1  0.93  0.93  0.93  1.0

Na Na Os Os Os Os
Na Na Os Os Os Os 0 4 o o - 1 2 o o o 1 5 o o o 2 3 o o o 4 5 o o o 