data_KYRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   7.02
_cell_angle_alpha   113.77
_cell_angle_beta   113.77
_cell_angle_gamma   45.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYRu2
_chemical_formula_sum   'K1 Y1 Ru2'
_cell_volume   129.27
_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
  Y  Y3  1  0.44  0.0  0.16  1.0
  Ru  Ru1  1  0.11  0.0  0.63  1.0
  Ru  Ru2  1  0.76  0.0  0.68  1.0

data_KYRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   5.38
_cell_length_c   6.91
_cell_angle_alpha   68.33
_cell_angle_beta   72.64
_cell_angle_gamma   67.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYRu2
_chemical_formula_sum   'K1 Y1 Ru2'
_cell_volume   129.27
_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
  Y  Y1  1  0.0  0.28  0.16  1.0
  Ru  Ru2  1  0.0  0.08  0.68  1.0
  Ru  Ru3  1  0.0  0.48  0.63  1.0

K Y Ru Ru