data_NaFe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   132.25
_cell_angle_beta   132.25
_cell_angle_gamma   69.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe2Os
_chemical_formula_sum   'Na1 Fe2 Os1'
_cell_volume   53.02
_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
  Fe  Fe0  1  0.0  0.0  0.79  1.0
  Fe  Fe1  1  0.0  0.87  0.89  1.0
  Os  Os3  1  0.87  0.0  0.89  1.0

data_NaFe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   4.62
_cell_angle_alpha   113.87
_cell_angle_beta   113.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe2Os
_chemical_formula_sum   'Na1 Fe2 Os1'
_cell_volume   53.02
_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
  Fe  Fe1  1  0.02  0.89  0.02  1.0
  Fe  Fe2  1  0.79  0.79  0.79  1.0
  Os  Os3  1  0.89  0.02  0.02  1.0

Na Fe Fe Os