data_[Nd4Cl11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.9740]
_cell_length_b [8.9740]
_cell_length_c [18.0498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Nd4Cl11]
_chemical_formula_sum '[Nd4 Cl11]'
_cell_volume [1258.8659]
_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
[
  Nd  Nd0  3  0.0000  0.4856  0.4937  1
  Nd  Nd1  1  0.0000  0.0000  0.5111  1
  Cl  Cl2  6  0.1962  0.7940  0.5758  1
  Cl  Cl3  3  0.0000  0.2265  0.4068  1
  Cl  Cl4  2  0.3333  0.6667  0.4164  1
]