data_CuRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   6.51
_cell_angle_alpha   98.5
_cell_angle_beta   98.5
_cell_angle_gamma   38.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRu2Cl
_chemical_formula_sum   'Cu1 Ru2 Cl1'
_cell_volume   73.07
_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  Cu1  1  0.53  0.0  0.18  1.0
  Ru  Ru2  1  0.73  0.0  0.28  1.0
  Ru  Ru3  1  0.79  0.0  0.31  1.0
  Cl  Cl0  1  0.61  0.0  0.31  1.0

data_CuRu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.28
_cell_length_c   6.51
_cell_angle_alpha   98.5
_cell_angle_beta   90.0
_cell_angle_gamma   109.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuRu2Cl
_chemical_formula_sum   'Cu1 Ru2 Cl1'
_cell_volume   73.07
_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  0.47  0.82  1.0
  Ru  Ru1  1  0.0  0.21  0.69  1.0
  Ru  Ru2  1  0.0  0.27  0.72  1.0
  Cl  Cl3  1  0.0  0.39  0.69  1.0

Cu Ru Ru Cl