data_[Lu6C9N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [6.2630]
_cell_length_b [6.2630]
_cell_length_c [14.9498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Lu2(CN2)3]
_chemical_formula_sum '[Lu6 C9 N18]'
_cell_volume [507.8509]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1731  1.0
  C  C1  9  0.0000  0.2861  0.0000  1.0
  N  N2  18  0.0057  0.4293  0.5912  1.0
]