data_KRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.62
_cell_length_b   10.62
_cell_length_c   10.62
_cell_angle_alpha   15.02
_cell_angle_beta   15.02
_cell_angle_gamma   15.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRe2Ru
_chemical_formula_sum   'K1 Re2 Ru1'
_cell_volume   70.05
_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
  Re  Re1  1  0.0  0.0  0.06  1.0
  Re  Re2  1  0.0  0.0  0.42  1.0
  Ru  Ru3  1  0.0  0.0  0.74  1.0

data_KRe2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   2.78
_cell_length_c   10.62
_cell_angle_alpha   90.0
_cell_angle_beta   98.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KRe2Ru
_chemical_formula_sum   'K2 Re4 Ru2'
_cell_volume   140.1
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Re  Re1  2  -0.0  0.0  0.58  1.0
  Re  Re2  2  -0.0  0.0  0.94  1.0
  Ru  Ru3  2  -0.0  0.0  0.26  1.0

K Re Re Ru