data_[Gd4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1869]
_cell_length_b [12.3832]
_cell_length_c [8.9941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GdCl4]
_chemical_formula_sum '[Gd4 Cl16]'
_cell_volume [798.1084]
_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  0.0000  0.1682  0.0000  1.0
  Cl  Cl1  8  0.1770  0.3077  0.8301  1.0
  Cl  Cl2  4  0.0937  0.0000  0.8287  1.0
  Cl  Cl3  4  0.1106  0.5000  0.4391  1.0
]