data_[Ba2Gd4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.5852]
_cell_length_b [12.5900]
_cell_length_c [5.3861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaGd2Cl8]
_chemical_formula_sum '[Ba2 Gd4 Cl16]'
_cell_volume [569.6728]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1.0
  Gd  Gd1  4  0.0000  0.3200  0.5000  1.0
  Cl  Cl2  8  0.1905  0.1345  0.5749  1.0
  Cl  Cl3  4  0.0000  0.2525  0.0000  1.0
  Cl  Cl4  4  0.1102  0.5000  0.7905  1.0
]