data_ReRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   99.66
_cell_angle_beta   99.66
_cell_angle_gamma   131.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu4
_chemical_formula_sum   'Re1 Ru4'
_cell_volume   70.63
_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
  Re  Re0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.21  0.64  0.0  1.0
  Ru  Ru2  1  0.82  0.39  0.92  1.0
  Ru  Ru3  1  0.42  0.21  0.0  1.0
  Ru  Ru4  1  0.61  0.82  0.92  1.0

data_ReRu4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   80.34
_cell_angle_beta   65.82
_cell_angle_gamma   65.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu4
_chemical_formula_sum   'Re1 Ru4'
_cell_volume   70.63
_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
  Re  Re0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.21  0.21  0.0  1.0
  Ru  Ru2  1  0.39  0.43  0.08  1.0
  Ru  Ru3  1  0.64  0.57  0.0  1.0
  Ru  Ru4  1  0.82  0.79  0.08  1.0

Re Ru Ru Ru Ru