data_NaYOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.03
_cell_angle_alpha   102.5
_cell_angle_beta   102.5
_cell_angle_gamma   34.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYOs2
_chemical_formula_sum   'Na1 Y1 Os2'
_cell_volume   72.63
_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
  Y  Y3  1  0.31  0.0  0.45  1.0
  Os  Os1  1  0.1  0.0  0.08  1.0
  Os  Os2  1  0.51  0.0  0.82  1.0

data_NaYOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.03
_cell_length_c   5.11
_cell_angle_alpha   102.5
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYOs2
_chemical_formula_sum   'Na1 Y1 Os2'
_cell_volume   72.63
_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
  Y  Y1  1  0.0  0.45  0.31  1.0
  Os  Os2  1  0.0  0.08  0.1  1.0
  Os  Os3  1  0.0  0.82  0.51  1.0

Na Y Os Os
Na Y Os Os 0 2 o o o 1 2 o o o 1 3 o o o 