data_NaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85
_cell_length_b   10.85
_cell_length_c   10.85
_cell_angle_alpha   15.05
_cell_angle_beta   15.05
_cell_angle_gamma   15.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe
_chemical_formula_sum   'Na2 Re2'
_cell_volume   75.04
_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  0.0  0.0  0.86  1.0
  Na  Na1  1  0.0  0.0  0.32  1.0
  Re  Re2  1  0.0  0.0  0.34  1.0
  Re  Re3  1  0.0  0.0  0.85  1.0

data_NaRe
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.92
_cell_length_b   2.84
_cell_length_c   10.85
_cell_angle_alpha   90.0
_cell_angle_beta   98.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   NaRe
_chemical_formula_sum   'Na4 Re4'
_cell_volume   150.08
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.27  1.0
  Re  Re1  4  0.0  0.0  0.25  1.0

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