data_[Nd21Zn3Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.9475]
_cell_length_b [14.9475]
_cell_length_c [9.5764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd7ZnCl12]
_chemical_formula_sum '[Nd21 Zn3 Cl36]'
_cell_volume [1852.9905]
_cell_formula_units_Z [3]
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
[
  Nd  Nd0  18  0.0420  0.1710  0.8287  1
  Nd  Nd1  3  0.0000  0.0000  0.5000  1
  Zn  Zn2  3  0.0000  0.0000  0.0000  1
  Cl  Cl3  18  0.0317  0.5831  0.6634  1
  Cl  Cl4  18  0.0447  0.1798  0.3453  1
]