data_[Gd4Cl12]
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 [7.1259]
_cell_length_b [12.3112]
_cell_length_c [6.9294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GdCl3]
_chemical_formula_sum '[Gd4 Cl12]'
_cell_volume [572.0426]
_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  0.1664  0.0000  1.0
  Cl  Cl1  8  0.2364  0.1881  0.7705  1.0
  Cl  Cl2  4  0.1973  0.0000  0.2326  1.0
]