data_Na3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   16.21
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Re
_chemical_formula_sum   'Na18 Re6'
_cell_volume   612.05
_cell_formula_units_Z   6
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  0.93  0.7  0.96  1.0
  Na  Na1  1  0.93  0.51  0.96  1.0
  Na  Na2  1  0.93  0.1  0.85  1.0
  Na  Na3  1  0.93  0.0  0.9  1.0
  Na  Na4  1  0.93  0.8  0.79  1.0
  Na  Na5  1  0.93  0.4  0.79  1.0
  Na  Na6  1  0.0  0.0  0.7  1.0
  Na  Na7  1  0.0  0.81  0.91  1.0
  Na  Na8  1  0.0  0.4  0.91  1.0
  Na  Na9  1  0.64  0.7  0.96  1.0
  Na  Na10  1  0.64  0.51  0.96  1.0
  Na  Na11  1  0.64  0.1  0.85  1.0
  Na  Na12  1  0.64  0.0  0.9  1.0
  Na  Na13  1  0.64  0.8  0.79  1.0
  Na  Na14  1  0.64  0.4  0.79  1.0
  Na  Na15  1  0.29  0.1  0.05  1.0
  Na  Na16  1  0.29  0.7  0.83  1.0
  Na  Na17  1  0.29  0.5  0.83  1.0
  Re  Re18  1  0.0  0.1  0.0  1.0
  Re  Re19  1  0.0  0.71  0.83  1.0
  Re  Re20  1  0.0  0.5  0.83  1.0
  Re  Re21  1  0.29  0.0  0.74  1.0
  Re  Re22  1  0.29  0.81  0.92  1.0
  Re  Re23  1  0.29  0.39  0.92  1.0

data_Na3Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   6.57
_cell_length_c   16.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Re
_chemical_formula_sum   'Na18 Re6'
_cell_volume   612.05
_cell_formula_units_Z   6
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  0.05  0.29  0.1  1.0
  Na  Na1  1  0.7  0.0  0.0  1.0
  Na  Na2  1  0.79  0.64  0.4  1.0
  Na  Na3  1  0.79  0.64  0.8  1.0
  Na  Na4  1  0.79  0.93  0.4  1.0
  Na  Na5  1  0.79  0.93  0.8  1.0
  Na  Na6  1  0.83  0.29  0.5  1.0
  Na  Na7  1  0.83  0.29  0.7  1.0
  Na  Na8  1  0.85  0.64  0.1  1.0
  Na  Na9  1  0.85  0.93  0.1  1.0
  Na  Na10  1  0.9  0.64  0.0  1.0
  Na  Na11  1  0.9  0.93  0.0  1.0
  Na  Na12  1  0.91  0.0  0.4  1.0
  Na  Na13  1  0.91  0.0  0.81  1.0
  Na  Na14  1  0.96  0.64  0.51  1.0
  Na  Na15  1  0.96  0.64  0.7  1.0
  Na  Na16  1  0.96  0.93  0.51  1.0
  Na  Na17  1  0.96  0.93  0.7  1.0
  Re  Re18  1  0.0  0.0  0.1  1.0
  Re  Re19  1  0.74  0.29  0.0  1.0
  Re  Re20  1  0.83  0.0  0.5  1.0
  Re  Re21  1  0.83  0.0  0.71  1.0
  Re  Re22  1  0.92  0.29  0.39  1.0
  Re  Re23  1  0.92  0.29  0.81  1.0

Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Re Re Re Re Re Re
Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Re Re Re Re Re Re 0 19 + o o 0 9 o o o 1 20 + o o 1 10 o o o 2 18 + o + 2 11 o o o 3 6 + o o 3 12 o o o 4 7 + o o 4 13 o o o 5 8 + o o 5 14 o o o 6 21 o o o 7 22 o o o 8 23 o o o 9 13 o o o 10 14 o o o 11 12 o o o 15 18 o o o 16 19 o o o 16 22 o o o 17 20 o o o 17 23 o o o 