data_CuRuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   6.58
_cell_angle_alpha   149.35
_cell_angle_beta   149.35
_cell_angle_gamma   43.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRuCl2
_chemical_formula_sum   'Cu1 Ru1 Cl2'
_cell_volume   73.79
_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  Cu2  1  0.0  0.0  0.1  1.0
  Ru  Ru3  1  0.0  0.74  0.05  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.74  0.0  0.05  1.0

data_CuRuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   6.58
_cell_angle_alpha   105.32
_cell_angle_beta   105.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRuCl2
_chemical_formula_sum   'Cu1 Ru1 Cl2'
_cell_volume   73.79
_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  0.9  0.0  0.9  1.0
  Ru  Ru1  1  0.69  0.74  0.69  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.95  0.0  0.69  1.0

Cu Ru Cl Cl