data_CoRuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   150.73
_cell_angle_beta   150.73
_cell_angle_gamma   41.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRuCl
_chemical_formula_sum   'Co1 Ru1 Cl1'
_cell_volume   43.89
_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
  Co  Co1  1  0.0  0.0  0.38  1.0
  Ru  Ru2  1  0.0  0.0  0.22  1.0
  Cl  Cl0  1  0.0  0.0  0.02  1.0

data_CoRuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   110.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoRuCl
_chemical_formula_sum   'Co2 Ru2 Cl2'
_cell_volume   87.78
_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
  Co  Co0  2  0.38  0.0  0.38  1.0
  Ru  Ru1  2  0.22  0.0  0.22  1.0
  Cl  Cl2  2  0.02  0.0  0.02  1.0

Co Ru Cl
Co Ru Cl 0 1 o o o 1 2 o o o 