data_KIn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.33
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   91.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn2Ru
_chemical_formula_sum   'K1 In2 Ru1'
_cell_volume   114.46
_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  K2  1  0.22  0.0  0.12  1.0
  In  In0  1  0.62  0.0  0.3  1.0
  In  In1  1  0.81  0.17  0.52  1.0
  Ru  Ru3  1  0.0  0.17  0.47  1.0

data_KIn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.33
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   91.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn2Ru
_chemical_formula_sum   'K1 In2 Ru1'
_cell_volume   114.46
_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  0.22  0.0  0.12  1.0
  In  In1  1  0.62  0.0  0.3  1.0
  In  In2  1  0.81  0.17  0.52  1.0
  Ru  Ru3  1  0.0  0.17  0.47  1.0

K In In Ru
K In In Ru 0 1 o o o 1 3 + o o 1 2 o o o 2 3 + o o 