data_KAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27
_cell_length_b   9.27
_cell_length_c   9.27
_cell_angle_alpha   19.16
_cell_angle_beta   19.16
_cell_angle_gamma   19.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAsRu2
_chemical_formula_sum   'K1 As1 Ru2'
_cell_volume   74.99
_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
  As  As0  1  0.0  0.0  0.65  1.0
  Ru  Ru2  1  0.0  0.0  0.25  1.0
  Ru  Ru3  1  0.0  0.0  0.04  1.0

data_KAsRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   3.09
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   101.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KAsRu2
_chemical_formula_sum   'K2 As2 Ru4'
_cell_volume   149.99
_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
  As  As1  2  0.0  0.0  0.35  1.0
  Ru  Ru2  2  0.0  0.0  0.75  1.0
  Ru  Ru3  2  0.0  0.0  0.96  1.0

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