data_[Gd6N2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1219]
_cell_length_b [8.2001]
_cell_length_c [9.8590]
_cell_angle_alpha [75.8342]
_cell_angle_beta [71.0349]
_cell_angle_gamma [65.5479]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Gd3NCl6]
_chemical_formula_sum '[Gd6 N2 Cl12]'
_cell_volume [491.5940]
_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
[
  Gd  Gd0  2  0.2614  0.5818  0.6250  1
  Gd  Gd1  2  0.2812  0.5693  0.2243  1
  Gd  Gd2  2  0.4091  0.9107  0.3183  1
  N  N3  2  0.4065  0.6303  0.3803  1
  Cl  Cl4  2  0.1674  0.2606  0.7861  1
  Cl  Cl5  2  0.1763  0.2799  0.2073  1
  Cl  Cl6  2  0.2833  0.8940  0.0959  1
  Cl  Cl7  2  0.3054  0.5829  0.9069  1
  Cl  Cl8  2  0.4643  0.8246  0.6038  1
  Cl  Cl9  1  0.0000  0.0000  0.5000  1
  Cl  Cl10  1  0.0000  0.5000  0.5000  1
]