data_[Co4I4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4127]
_cell_length_b [3.6668]
_cell_length_c [6.3206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CoICl]
_chemical_formula_sum '[Co4 I4 Cl4]'
_cell_volume [302.6571]
_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  4  0.2498  0.0000  0.2408  1
  I  I1  4  0.1367  0.5000  0.3083  1
  Cl  Cl2  4  0.1572  0.0000  0.8277  1
]