data_NaRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   4.72
_cell_angle_alpha   106.39
_cell_angle_beta   106.39
_cell_angle_gamma   29.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Ru
_chemical_formula_sum   'Na1 Re2 Ru1'
_cell_volume   63.95
_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
  Re  Re1  1  0.29  0.0  0.28  1.0
  Re  Re2  1  0.67  0.0  0.24  1.0
  Ru  Ru3  1  0.48  0.0  0.26  1.0

data_NaRe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.72
_cell_length_c   5.34
_cell_angle_alpha   106.39
_cell_angle_beta   104.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2Ru
_chemical_formula_sum   'Na1 Re2 Ru1'
_cell_volume   63.95
_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
  Re  Re1  1  0.0  0.24  0.67  1.0
  Re  Re2  1  0.0  0.28  0.29  1.0
  Ru  Ru3  1  0.0  0.26  0.48  1.0

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