data_K2BRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   91.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BRu
_chemical_formula_sum   'K2 B1 Ru1'
_cell_volume   93.3
_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  0.16  0.54  0.78  1.0
  K  K2  1  0.48  0.0  0.47  1.0
  B  B0  1  0.57  0.0  0.68  1.0
  Ru  Ru3  1  0.05  0.54  0.72  1.0

data_K2BRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   9.77
_cell_angle_alpha   91.49
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BRu
_chemical_formula_sum   'K2 B1 Ru1'
_cell_volume   93.3
_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  0.52  0.53  1.0
  K  K1  1  0.46  0.84  0.22  1.0
  B  B2  1  0.0  0.43  0.32  1.0
  Ru  Ru3  1  0.46  0.95  0.28  1.0

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