data_[Nd8N2Cl10]
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 [17.5408]
_cell_length_b [3.8086]
_cell_length_c [8.0420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4NCl5]
_chemical_formula_sum '[Nd8 N2 Cl10]'
_cell_volume [520.3250]
_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
[
  Nd  Nd0  4  0.0017  0.0000  0.7901  1.0
  Nd  Nd1  4  0.1439  0.5000  0.0834  1.0
  N  N2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1631  0.0000  0.3492  1.0
  Cl  Cl4  4  0.1717  0.0000  0.8358  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]