data_CuRu8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   95.67
_cell_angle_beta   95.67
_cell_angle_gamma   143.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRu8
_chemical_formula_sum   'Cu1 Ru8'
_cell_volume   124.69
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.73  0.0  1.0
  Ru  Ru2  1  0.0  0.38  0.0  1.0
  Ru  Ru3  1  0.38  0.0  0.0  1.0
  Ru  Ru4  1  0.37  0.63  0.9  1.0
  Ru  Ru5  1  0.37  0.37  0.9  1.0
  Ru  Ru6  1  0.73  0.0  0.0  1.0
  Ru  Ru7  1  0.68  0.68  0.0  1.0
  Ru  Ru8  1  0.63  0.37  0.9  1.0

data_CuRu8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.79
_cell_length_b   11.46
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   108.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuRu8
_chemical_formula_sum   'Cu2 Ru16'
_cell_volume   249.39
_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
  Cu  Cu0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  4  0.13  0.13  0.0  1.0
  Ru  Ru2  4  0.31  0.31  0.0  1.0
  Ru  Ru3  4  0.4  0.13  0.9  1.0
  Ru  Ru4  2  0.02  0.5  0.9  1.0
  Ru  Ru5  2  0.32  0.0  0.0  1.0

Cu Ru Ru Ru Ru Ru Ru Ru Ru
Cu Ru Ru Ru Ru Ru Ru Ru Ru 0 7 - - o 1 8 - o - 1 3 o + o 2 6 - o o 2 4 o o - 3 8 o o - 4 5 o o o 4 6 o + + 4 7 o o + 5 7 o o + 5 8 o o o 7 8 o o - 