data_NaLi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Os
_chemical_formula_sum   'Na1 Li2 Os1'
_cell_volume   61.46
_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  Na2  1  0.0  0.0  0.0  1.0
  Li  Li0  1  0.51  0.98  0.26  1.0
  Li  Li1  1  0.51  0.02  0.26  1.0
  Os  Os3  1  0.03  0.0  0.0  1.0

data_NaLi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   106.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Os
_chemical_formula_sum   'Na1 Li2 Os1'
_cell_volume   61.46
_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
  Li  Li1  1  0.26  0.51  0.02  1.0
  Li  Li2  1  0.26  0.51  0.98  1.0
  Os  Os3  1  -0.0  0.03  0.0  1.0

Na Li Li Os
Na Li Li Os 0 3 o o o 1 2 o + o 