data_K2ReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74
_cell_length_b   7.74
_cell_length_c   7.74
_cell_angle_alpha   156.95
_cell_angle_beta   148.79
_cell_angle_gamma   39.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ReRu
_chemical_formula_sum   'K2 Re1 Ru1'
_cell_volume   93.75
_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  0.55  0.0  0.6  1.0
  K  K1  1  0.0  0.08  0.69  1.0
  Re  Re2  1  0.0  0.0  0.29  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_K2ReRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.16
_cell_length_c   7.74
_cell_angle_alpha   105.6
_cell_angle_beta   101.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ReRu
_chemical_formula_sum   'K2 Re1 Ru1'
_cell_volume   93.75
_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  0.31  0.39  0.39  1.0
  K  K1  1  0.95  0.4  0.95  1.0
  Re  Re2  1  0.71  0.71  0.71  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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