data_[Lu16Ti8Si12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8205]
_cell_length_b [5.6921]
_cell_length_c [13.6292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Ti2(SiN)3]
_chemical_formula_sum '[Lu16 Ti8 Si12 N12]'
_cell_volume [739.4190]
_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  0.1176  0.9204  0.6004  1
  Lu  Lu1  8  0.2145  0.0845  0.3995  1
  Ti  Ti2  8  0.0579  0.5837  0.4213  1
  Si  Si3  8  0.1263  0.4543  0.2492  1
  Si  Si4  4  0.0000  0.1670  0.7500  1
  N  N5  8  0.0810  0.2566  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]