data_CrRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   7.15
_cell_length_c   7.15
_cell_angle_alpha   21.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRu5
_chemical_formula_sum   'Cr1 Ru5'
_cell_volume   81.49
_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
  Cr  Cr0  1  0.0  0.0  0.04  1.0
  Ru  Ru1  1  0.14  0.0  0.11  1.0
  Ru  Ru2  1  0.0  0.0  0.73  1.0
  Ru  Ru3  1  0.14  0.0  0.77  1.0
  Ru  Ru4  1  0.0  0.0  0.33  1.0
  Ru  Ru5  1  0.14  0.0  0.52  1.0

data_CrRu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.27
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   100.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRu5
_chemical_formula_sum   'Cr1 Ru5'
_cell_volume   81.49
_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
  Cr  Cr0  1  0.96  0.0  0.96  1.0
  Ru  Ru1  1  0.23  0.14  0.23  1.0
  Ru  Ru2  1  0.27  0.0  0.27  1.0
  Ru  Ru3  1  0.48  0.14  0.48  1.0
  Ru  Ru4  1  0.67  0.0  0.67  1.0
  Ru  Ru5  1  0.89  0.14  0.89  1.0

Cr Ru Ru Ru Ru Ru