data_[Y16Hf8Pb12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.4517]
_cell_length_b [6.0491]
_cell_length_c [15.5189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y4Hf2(PbN)3]
_chemical_formula_sum '[Y16 Hf8 Pb12 N12]'
_cell_volume [954.7995]
_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
[
  Y  Y0  8  0.1136  0.0754  0.5869  1
  Y  Y1  8  0.2160  0.0880  0.9131  1
  Hf  Hf2  8  0.0615  0.4129  0.4251  1
  Pb  Pb3  8  0.1545  0.4289  0.7475  1
  Pb  Pb4  4  0.0000  0.1076  0.2500  1
  N  N5  8  0.0761  0.2707  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]