data_[K2Y2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.0863]
_cell_length_b [4.0861]
_cell_length_c [8.8093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KYRu2]
_chemical_formula_sum '[K2 Y2 Ru4]'
_cell_volume [246.9540]
_cell_formula_units_Z [2]
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  2  0.2185  0.5000  0.1720  1
  Y  Y1  2  0.0479  0.5000  0.6291  1
  Ru  Ru2  2  0.2748  0.0000  0.8219  1
  Ru  Ru3  2  0.4588  0.5000  0.8770  1
]