data_KCr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   144.66
_cell_angle_beta   129.81
_cell_angle_gamma   62.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Ru
_chemical_formula_sum   'K1 Cr2 Ru1'
_cell_volume   75.06
_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  K2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.68  0.0  0.32  1.0
  Cr  Cr1  1  0.0  0.35  0.41  1.0
  Ru  Ru3  1  0.0  0.0  0.73  1.0

data_KCr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.71
_cell_length_c   5.55
_cell_angle_alpha   115.1
_cell_angle_beta   107.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCr2Ru
_chemical_formula_sum   'K1 Cr2 Ru1'
_cell_volume   75.06
_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
  Cr  Cr1  1  0.0  0.32  0.64  1.0
  Cr  Cr2  1  0.65  0.06  0.06  1.0
  Ru  Ru3  1  0.0  0.73  0.73  1.0

K Cr Cr Ru