data_KCuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   13.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuRu2
_chemical_formula_sum   'K1 Cu1 Ru2'
_cell_volume   327.6
_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  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.94  1.0
  Ru  Ru2  1  0.86  0.0  0.45  1.0
  Ru  Ru3  1  0.86  0.0  0.43  1.0

data_KCuRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   13.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuRu2
_chemical_formula_sum   'K1 Cu1 Ru2'
_cell_volume   327.6
_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
  Cu  Cu1  1  0.0  0.0  0.94  1.0
  Ru  Ru2  1  0.86  0.0  0.43  1.0
  Ru  Ru3  1  0.86  0.0  0.45  1.0

K Cu Ru Ru