data_NaCr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Re
_chemical_formula_sum   'Na1 Cr2 Re1'
_cell_volume   57.52
_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
  Cr  Cr0  1  0.36  0.88  0.25  1.0
  Cr  Cr1  1  0.36  0.12  0.25  1.0
  Re  Re3  1  0.72  0.0  0.0  1.0

data_NaCr2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.49
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   114.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Re
_chemical_formula_sum   'Na1 Cr2 Re1'
_cell_volume   57.52
_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
  Cr  Cr1  1  0.25  0.36  0.88  1.0
  Cr  Cr2  1  0.25  0.36  0.12  1.0
  Re  Re3  1  0.0  0.72  0.0  1.0

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