data_KSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSb2Ru
_chemical_formula_sum   'K1 Sb2 Ru1'
_cell_volume   107.25
_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
  Sb  Sb2  1  0.93  0.0  0.87  1.0
  Sb  Sb3  1  0.93  0.0  0.59  1.0
  Ru  Ru1  1  0.0  0.0  0.23  1.0

data_KSb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSb2Ru
_chemical_formula_sum   'K1 Sb2 Ru1'
_cell_volume   107.25
_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
  Sb  Sb1  1  0.93  0.0  0.59  1.0
  Sb  Sb2  1  0.93  0.0  0.87  1.0
  Ru  Ru3  1  0.0  0.0  0.23  1.0

K Sb Sb Ru
K Sb Sb Ru 0 1 - o - 0 3 o o o 1 2 o o o 2 2 o + o 2 2 + o o 