data_[Lu6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [18.1348]
_cell_length_b [18.1348]
_cell_length_c [3.8875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [LuN]
_chemical_formula_sum '[Lu6 N6]'
_cell_volume [1107.1901]
_cell_formula_units_Z [6]
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  3  0.1872  0.7113  0.0000  1
  Lu  Lu1  3  0.2023  0.5463  0.5000  1
  N  N2  3  0.1823  0.4870  0.0000  1
  N  N3  3  0.2120  0.6740  0.5000  1
]