data_Na2BiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BiOs
_chemical_formula_sum   'Na2 Bi1 Os1'
_cell_volume   88.85
_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  Na1  1  0.78  0.0  0.82  1.0
  Na  Na2  1  0.78  0.0  0.57  1.0
  Bi  Bi0  1  0.0  0.0  0.19  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_Na2BiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   10.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BiOs
_chemical_formula_sum   'Na2 Bi1 Os1'
_cell_volume   88.85
_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  0.78  0.0  0.57  1.0
  Na  Na1  1  0.78  0.0  0.82  1.0
  Bi  Bi2  1  0.0  0.0  0.19  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

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