data_K2BaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   5.74
_cell_angle_alpha   96.37
_cell_angle_beta   96.37
_cell_angle_gamma   33.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaRu
_chemical_formula_sum   'K2 Ba1 Ru1'
_cell_volume   150.59
_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  0.85  0.0  0.29  1.0
  K  K2  1  0.69  0.0  0.42  1.0
  Ba  Ba0  1  0.27  0.0  0.85  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_K2BaRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   5.74
_cell_length_c   6.9
_cell_angle_alpha   96.37
_cell_angle_beta   106.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaRu
_chemical_formula_sum   'K2 Ba1 Ru1'
_cell_volume   150.59
_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  0.29  0.85  1.0
  K  K1  1  0.0  0.42  0.69  1.0
  Ba  Ba2  1  0.0  0.85  0.27  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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