data_[Sm4Pd4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pd  2.2000  1.4000  0.8462
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1418]
_cell_length_b [3.7590]
_cell_length_c [8.3384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmPdN3]
_chemical_formula_sum '[Sm4 Pd4 N12]'
_cell_volume [362.7178]
_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
[
  Sm  Sm0  4  0.1307  0.0000  0.8831  1.0
  Pd  Pd1  4  0.1208  0.5000  0.2477  1.0
  N  N2  4  0.1154  0.5000  0.4708  1.0
  N  N3  4  0.1326  0.5000  0.6137  1.0
  N  N4  4  0.1688  0.5000  0.0424  1.0
]