data_[Co4Cu12Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [15.8171]
_cell_length_b [8.9995]
_cell_length_c [11.4353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Co(CuCl3)3]
_chemical_formula_sum '[Co4 Cu12 Cl36]'
_cell_volume [1279.6601]
_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  0.2453  0.2568  0.4950  1
  Cu  Cu1  4  0.1258  0.0789  0.6919  1
  Cu  Cu2  4  0.3654  0.3929  0.2929  1
  Cu  Cu3  4  0.4924  0.0421  0.2371  1
  Cl  Cl4  4  0.0344  0.9093  0.5114  1
  Cl  Cl5  4  0.1029  0.3943  0.4372  1
  Cl  Cl6  4  0.1164  0.2873  0.7932  1
  Cl  Cl7  4  0.1345  0.0686  0.3612  1
  Cl  Cl8  4  0.2281  0.3587  0.3000  1
  Cl  Cl9  4  0.2628  0.1651  0.6957  1
  Cl  Cl10  4  0.3582  0.1954  0.1655  1
  Cl  Cl11  4  0.3635  0.4349  0.6467  1
  Cl  Cl12  4  0.3879  0.1226  0.5501  1
]