data_[Nd3N2Cl3]
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 [Pmm2]
_cell_length_a [3.8587]
_cell_length_b [10.6018]
_cell_length_c [17.9961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd3N2Cl3]
_chemical_formula_sum '[Nd3 N2 Cl3]'
_cell_volume [736.1994]
_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  2  0.0000  0.3081  0.4953  1
  Nd  Nd1  1  0.5000  0.0000  0.5582  1
  N  N2  2  0.0000  0.1423  0.5554  1
  Cl  Cl3  2  0.5000  0.2550  0.3917  1
  Cl  Cl4  1  0.5000  0.5000  0.5569  1
]