data_[Nd8N4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.3656]
_cell_length_b [4.0426]
_cell_length_c [10.9065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6953]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2NCl3]
_chemical_formula_sum '[Nd8 N4 Cl12]'
_cell_volume [626.8152]
_cell_formula_units_Z [4]
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  4  0.0884  0.5000  0.4518  1.0
  Nd  Nd1  4  0.1378  0.0000  0.7928  1.0
  N  N2  4  0.0757  0.5000  0.6559  1.0
  Cl  Cl3  4  0.0491  0.0000  0.2472  1.0
  Cl  Cl4  4  0.1642  0.5000  0.0117  1.0
  Cl  Cl5  4  0.2245  0.0000  0.6139  1.0
]