data_KAgRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.76
_cell_length_b   10.76
_cell_length_c   10.76
_cell_angle_alpha   14.82
_cell_angle_beta   14.82
_cell_angle_gamma   14.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAgRu2
_chemical_formula_sum   'K1 Ag1 Ru2'
_cell_volume   71.04
_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
  Ag  Ag0  1  0.0  0.0  0.96  1.0
  Ru  Ru2  1  0.0  0.0  0.73  1.0
  Ru  Ru3  1  0.0  0.0  0.19  1.0

data_KAgRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   2.78
_cell_length_c   10.76
_cell_angle_alpha   90.0
_cell_angle_beta   98.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KAgRu2
_chemical_formula_sum   'K2 Ag2 Ru4'
_cell_volume   142.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.04  1.0
  Ru  Ru2  2  0.0  0.0  0.27  1.0
  Ru  Ru3  2  0.0  0.0  0.81  1.0

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