data_[Nd12P4Pd2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3728]
_cell_length_b [4.0712]
_cell_length_c [8.5994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6P2PdCl3]
_chemical_formula_sum '[Nd12 P4 Pd2 Cl6]'
_cell_volume [626.8005]
_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  0.0081  0.0000  0.2318  1
  Nd  Nd1  4  0.1676  0.5000  0.1030  1
  Nd  Nd2  4  0.1740  0.5000  0.5629  1
  P  P3  4  0.1681  0.0000  0.3324  1
  Pd  Pd4  2  0.0000  0.5000  0.0000  1
  Cl  Cl5  4  0.1635  0.0000  0.8239  1
  Cl  Cl6  2  0.0000  0.5000  0.5000  1
]