data_NaSi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   4.08
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi2Os
_chemical_formula_sum   'Na1 Si2 Os1'
_cell_volume   59.57
_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  0.0  1.0
  Si  Si2  1  0.57  0.04  0.0  1.0
  Si  Si3  1  0.0  0.04  0.33  1.0
  Os  Os1  1  0.57  0.0  0.33  1.0

data_NaSi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.08
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi2Os
_chemical_formula_sum   'Na1 Si2 Os1'
_cell_volume   59.57
_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  0.0  1.0
  Si  Si1  1  0.0  0.04  0.33  1.0
  Si  Si2  1  0.57  0.04  -0.0  1.0
  Os  Os3  1  0.57  0.0  0.33  1.0

Na Si Si Os