data_NaScOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.84
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScOs2
_chemical_formula_sum   'Na1 Sc1 Os2'
_cell_volume   84.87
_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  0.14  1.0
  Sc  Sc3  1  0.43  0.92  0.23  1.0
  Os  Os1  1  0.43  0.92  0.64  1.0
  Os  Os2  1  0.0  0.0  0.62  1.0

data_NaScOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.84
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScOs2
_chemical_formula_sum   'Na1 Sc1 Os2'
_cell_volume   84.87
_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  0.14  1.0
  Sc  Sc1  1  0.43  0.92  0.23  1.0
  Os  Os2  1  0.0  0.0  0.62  1.0
  Os  Os3  1  0.43  0.92  0.64  1.0

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