data_K2ZrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   10.03
_cell_angle_alpha   94.65
_cell_angle_beta   94.65
_cell_angle_gamma   48.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrRu
_chemical_formula_sum   'K2 Zr1 Ru1'
_cell_volume   133.67
_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  0.09  0.0  0.4  1.0
  K  K1  1  0.13  0.0  0.77  1.0
  Zr  Zr3  1  0.74  0.0  0.33  1.0
  Ru  Ru2  1  0.33  0.0  0.47  1.0

data_K2ZrRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.24
_cell_length_c   10.03
_cell_angle_alpha   94.65
_cell_angle_beta   90.0
_cell_angle_gamma   114.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZrRu
_chemical_formula_sum   'K2 Zr1 Ru1'
_cell_volume   133.67
_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  0.87  0.23  1.0
  K  K1  1  0.0  0.91  0.6  1.0
  Zr  Zr2  1  0.0  0.26  0.67  1.0
  Ru  Ru3  1  0.0  0.67  0.53  1.0

K K Zr Ru