data_[K1Si2Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.0028]
_cell_length_b [3.8021]
_cell_length_c [7.4385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KSi2Ru]
_chemical_formula_sum '[K1 Si2 Ru1]'
_cell_volume [84.5193]
_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  0.4640  0.0000  0.4920  1
  Si  Si1  1  0.8316  0.0000  0.9351  1
  Si  Si2  1  0.8841  0.5000  0.1689  1
  Ru  Ru3  1  0.3202  0.5000  0.9040  1
]