data_[Nd12C4Se6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8267]
_cell_length_b [3.9749]
_cell_length_c [8.3473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4700]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6C2Se3Cl]
_chemical_formula_sum '[Nd12 C4 Se6 Cl2]'
_cell_volume [575.2161]
_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  0.0235  0.0000  0.2701  1
  Nd  Nd1  4  0.1754  0.5000  0.1312  1
  Nd  Nd2  4  0.1765  0.5000  0.5619  1
  Se  Se3  4  0.1578  0.0000  0.8369  1
  C  C4  4  0.1690  0.0000  0.3330  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  Cl  Cl6  2  0.0000  0.5000  0.0000  1
]