data_NaNiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   154.79
_cell_angle_beta   141.13
_cell_angle_gamma   46.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiOs
_chemical_formula_sum   'Na1 Ni1 Os1'
_cell_volume   52.9
_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  0.01  1.0
  Ni  Ni1  1  0.0  0.0  0.63  1.0
  Os  Os2  1  0.0  0.0  0.07  1.0

data_NaNiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   3.88
_cell_length_c   5.83
_cell_angle_alpha   109.44
_cell_angle_beta   102.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiOs
_chemical_formula_sum   'Na1 Ni1 Os1'
_cell_volume   52.9
_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  0.01  0.01  1.0
  Ni  Ni1  1  0.0  0.63  0.63  1.0
  Os  Os2  1  0.0  0.07  0.07  1.0

Na Ni Os