data_[Nd12B4C2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1009]
_cell_length_b [3.9037]
_cell_length_c [8.3920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6B2CCl3]
_chemical_formula_sum '[Nd12 B4 C2 Cl6]'
_cell_volume [562.3249]
_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  0.0099  0.0000  0.2148  1.0
  Nd  Nd1  4  0.1525  0.5000  0.1045  1.0
  Nd  Nd2  4  0.1772  0.5000  0.5575  1.0
  B  B3  4  0.1639  0.0000  0.3288  1.0
  C  C4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1674  0.0000  0.8333  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]