data_[Co4Ru4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.4216]
_cell_length_b [3.4516]
_cell_length_c [10.6190]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CoRuCl3]
_chemical_formula_sum '[Co4 Ru4 Cl12]'
_cell_volume [465.5828]
_cell_formula_units_Z [4]
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  Co0  2  0.1193  0.0000  0.0524  1
  Co  Co1  2  0.2309  0.0000  0.9710  1
  Ru  Ru2  2  0.2754  0.5000  0.1691  1
  Ru  Ru3  2  0.4590  0.0000  0.6274  1
  Cl  Cl4  2  0.0060  0.5000  0.8799  1
  Cl  Cl5  2  0.0968  0.0000  0.7006  1
  Cl  Cl6  2  0.1511  0.5000  0.2326  1
  Cl  Cl7  2  0.3431  0.5000  0.5791  1
  Cl  Cl8  2  0.3527  0.5000  0.0253  1
  Cl  Cl9  2  0.4058  0.0000  0.3672  1
]