data_Na2NiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.05
_cell_angle_alpha   94.59
_cell_angle_beta   94.59
_cell_angle_gamma   33.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiOs
_chemical_formula_sum   'Na2 Ni1 Os1'
_cell_volume   68.84
_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  0.21  0.0  0.92  1.0
  Na  Na1  1  0.53  0.0  0.55  1.0
  Ni  Ni2  1  0.11  0.0  0.43  1.0
  Os  Os3  1  0.75  0.0  0.16  1.0

data_Na2NiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   4.56
_cell_length_c   6.05
_cell_angle_alpha   94.59
_cell_angle_beta   90.0
_cell_angle_gamma   106.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiOs
_chemical_formula_sum   'Na2 Ni1 Os1'
_cell_volume   68.84
_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  0.47  0.45  1.0
  Na  Na1  1  0.0  0.79  0.08  1.0
  Ni  Ni2  1  0.0  0.89  0.57  1.0
  Os  Os3  1  0.0  0.25  0.84  1.0

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