data_[Lu16Nb8Sn12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0765]
_cell_length_b [5.8487]
_cell_length_c [14.8235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Nb2(SnN)3]
_chemical_formula_sum '[Lu16 Nb8 Sn12 N12]'
_cell_volume [851.9688]
_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  0.1123  0.0845  0.5876  1
  Lu  Lu1  8  0.2216  0.0824  0.9124  1
  Nb  Nb2  8  0.0550  0.4194  0.4222  1
  Sn  Sn3  8  0.1529  0.4308  0.7501  1
  Sn  Sn4  4  0.0000  0.1103  0.2500  1
  N  N5  8  0.0847  0.2461  0.0001  1
  N  N6  4  0.2500  0.2500  0.5000  1
]