data_[Lu16Hf8Au12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Hf  1.3000  1.5500  0.8500
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1296]
_cell_length_b [5.8599]
_cell_length_c [14.4270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Hf2(AuN)3]
_chemical_formula_sum '[Lu16 Hf8 Au12 N12]'
_cell_volume [832.3491]
_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
[
  Lu  Lu0  8  0.1166  0.0789  0.6000  1
  Lu  Lu1  8  0.2141  0.0874  0.8999  1
  Hf  Hf2  8  0.0594  0.5871  0.9177  1
  Au  Au3  8  0.1480  0.4366  0.7489  1
  Au  Au4  4  0.0000  0.1198  0.2500  1
  N  N5  8  0.0788  0.2630  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]