data_KZn2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.89
_cell_angle_alpha   95.0
_cell_angle_beta   95.0
_cell_angle_gamma   35.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Ru
_chemical_formula_sum   'K1 Zn2 Ru1'
_cell_volume   83.66
_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
  Zn  Zn2  1  0.63  0.0  0.52  1.0
  Zn  Zn3  1  0.52  0.0  0.35  1.0
  Ru  Ru1  1  0.07  0.0  0.43  1.0

data_KZn2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.6
_cell_length_c   6.89
_cell_angle_alpha   95.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Ru
_chemical_formula_sum   'K1 Zn2 Ru1'
_cell_volume   83.66
_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
  Zn  Zn1  1  0.0  0.37  0.48  1.0
  Zn  Zn2  1  0.0  0.48  0.65  1.0
  Ru  Ru3  1  0.0  0.93  0.57  1.0

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