data_[Gd3N2Cl3]
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 [Pmm2]
_cell_length_a [3.3614]
_cell_length_b [10.3788]
_cell_length_c [18.3553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Gd3N2Cl3]
_chemical_formula_sum '[Gd3 N2 Cl3]'
_cell_volume [640.3722]
_cell_formula_units_Z [1]
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  0.5000  0.2096  0.5013  1
  Gd  Gd1  1  0.5000  0.5000  0.5710  1
  N  N2  2  0.0000  0.3452  0.5440  1
  Cl  Cl3  2  0.0000  0.1877  0.3882  1
  Cl  Cl4  1  0.0000  0.0000  0.5618  1
]