data_[Gd20C24Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.7162]
_cell_length_b [3.7248]
_cell_length_c [15.3389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Gd5(C2Cl)3]
_chemical_formula_sum '[Gd20 C24 Cl12]'
_cell_volume [1038.6894]
_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
[
  Gd  Gd0  4  0.0062  0.5000  0.1130  1
  Gd  Gd1  4  0.0068  0.5000  0.3969  1
  Gd  Gd2  4  0.1633  0.0000  0.6392  1
  Gd  Gd3  4  0.1668  0.0000  0.1078  1
  Gd  Gd4  4  0.1741  0.0000  0.8809  1
  C  C5  4  0.0371  0.0000  0.0300  1
  C  C6  4  0.0373  0.0000  0.5274  1
  C  C7  4  0.1238  0.5000  0.9600  1
  C  C8  4  0.1244  0.5000  0.7269  1
  C  C9  4  0.1968  0.5000  0.0170  1
  C  C10  4  0.1971  0.5000  0.7769  1
  Cl  Cl11  4  0.0273  0.0000  0.2710  1
  Cl  Cl12  4  0.1691  0.5000  0.5108  1
  Cl  Cl13  4  0.1712  0.5000  0.2513  1
]