data_KRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRu5
_chemical_formula_sum   'K1 Ru5'
_cell_volume   104.98
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.64  0.52  0.0  1.0
  Ru  Ru2  1  0.0  0.05  0.0  1.0
  Ru  Ru3  1  0.68  0.29  0.17  1.0
  Ru  Ru4  1  0.32  0.29  0.17  1.0
  Ru  Ru5  1  0.64  0.0  0.17  1.0

data_KRu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRu5
_chemical_formula_sum   'K1 Ru5'
_cell_volume   104.98
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  -0.0  0.0  0.05  1.0
  Ru  Ru2  1  0.0  0.64  0.52  1.0
  Ru  Ru3  1  0.17  0.32  0.29  1.0
  Ru  Ru4  1  0.17  0.64  0.0  1.0
  Ru  Ru5  1  0.17  0.68  0.29  1.0

K Ru Ru Ru Ru Ru