data_NaReOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.7
_cell_length_b   4.51
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   92.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReOs2
_chemical_formula_sum   'Na1 Re1 Os2'
_cell_volume   60.44
_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  0.32  0.0  0.62  1.0
  Re  Re3  1  0.57  0.25  0.56  1.0
  Os  Os1  1  0.23  0.25  0.12  1.0
  Os  Os2  1  0.64  0.0  0.15  1.0

data_NaReOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.51
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   92.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReOs2
_chemical_formula_sum   'Na1 Re1 Os2'
_cell_volume   60.44
_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  0.32  0.0  0.62  1.0
  Re  Re1  1  0.57  0.25  0.56  1.0
  Os  Os2  1  0.23  0.25  0.12  1.0
  Os  Os3  1  0.64  0.0  0.15  1.0

Na Re Os Os
Na Re Os Os 0 1 o o o 2 3 o o o 