data_[Na4Co12Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Co  1.8800  1.3500  0.7683
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [18.2759]
_cell_length_b [8.9369]
_cell_length_c [13.1948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Na(CoCl3)3]
_chemical_formula_sum '[Na4 Co12 Cl36]'
_cell_volume [1627.8472]
_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
[
  Na  Na0  4  0.2407  0.2782  0.4939  1
  Co  Co1  4  0.1046  0.0810  0.6767  1
  Co  Co2  4  0.3978  0.3929  0.3342  1
  Co  Co3  4  0.4835  0.0956  0.2120  1
  Cl  Cl4  4  0.0463  0.1213  0.0396  1
  Cl  Cl5  4  0.1265  0.4417  0.9023  1
  Cl  Cl6  4  0.1555  0.0018  0.8679  1
  Cl  Cl7  4  0.2080  0.1945  0.6763  1
  Cl  Cl8  4  0.2817  0.4089  0.3374  1
  Cl  Cl9  4  0.3809  0.1661  0.2433  1
  Cl  Cl10  4  0.4004  0.4301  0.7258  1
  Cl  Cl11  4  0.4203  0.1007  0.5873  1
  Cl  Cl12  4  0.4714  0.2782  0.0812  1
]