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 [7.1593]
_cell_length_b [8.2086]
_cell_length_c [9.7755]
_cell_angle_alpha [75.3144]
_cell_angle_beta [70.9368]
_cell_angle_gamma [65.2807]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Gd3NCl6]
_chemical_formula_sum '[Gd6 N2 Cl12]'
_cell_volume [488.6259]
_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  0.2589  0.5834  0.6262  1.0
  Gd  Gd1  2  0.2797  0.5721  0.2202  1.0
  Gd  Gd2  2  0.4116  0.9155  0.3124  1.0
  N  N3  2  0.4080  0.6329  0.3767  1.0
  Cl  Cl4  2  0.1640  0.2602  0.7916  1.0
  Cl  Cl5  2  0.1754  0.2820  0.2024  1.0
  Cl  Cl6  2  0.2889  0.8982  0.0853  1.0
  Cl  Cl7  2  0.3012  0.5834  0.9101  1.0
  Cl  Cl8  2  0.4686  0.8227  0.6049  1.0
  Cl  Cl9  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl10  1  0.0000  0.5000  0.5000  1.0
]