data_NaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   141.25
_cell_angle_beta   121.51
_cell_angle_gamma   72.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe
_chemical_formula_sum   'Na2 Re2'
_cell_volume   81.58
_cell_formula_units_Z   2
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  0.79  0.69  0.26  1.0
  Na  Na1  1  0.0  0.94  0.08  1.0
  Re  Re2  1  0.0  0.31  0.93  1.0
  Re  Re3  1  0.79  0.31  0.42  1.0

data_NaRe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.57
_cell_length_b   5.26
_cell_length_c   5.38
_cell_angle_alpha   119.25
_cell_angle_beta   109.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaRe
_chemical_formula_sum   'Na2 Re2'
_cell_volume   81.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.3  0.28  0.17  1.0
  Re  Re1  2  0.15  0.76  0.65  1.0

Na Na Re Re
Na Na Re Re 0 2 + o - 0 2 + + o 1 3 - o - 1 3 - + o 2 3 - o o 