data_K2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.04
_cell_angle_alpha   98.29
_cell_angle_beta   98.29
_cell_angle_gamma   27.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CoRu
_chemical_formula_sum   'K2 Co1 Ru1'
_cell_volume   79.26
_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  K1  1  0.31  0.0  0.23  1.0
  K  K2  1  0.32  0.0  0.75  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.31  0.0  0.49  1.0

data_K2CoRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.04
_cell_length_c   5.86
_cell_angle_alpha   98.29
_cell_angle_beta   103.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CoRu
_chemical_formula_sum   'K2 Co1 Ru1'
_cell_volume   79.26
_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  0.23  0.31  1.0
  K  K1  1  0.0  0.75  0.32  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.49  0.31  1.0

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