data_[Nd12Si4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Si  1.9000  1.1000  0.5400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2758]
_cell_length_b [12.6234]
_cell_length_c [7.2799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3SiCl2]
_chemical_formula_sum '[Nd12 Si4 Cl8]'
_cell_volume [630.3346]
_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  8  0.2492  0.8264  0.2279  1
  Nd  Nd1  4  0.2295  0.5000  0.2265  1
  Si  Si2  4  0.0000  0.3335  0.0000  1
  Cl  Cl3  4  0.0000  0.1683  0.5000  1
  Cl  Cl4  2  0.0000  0.0000  0.0000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]