data_[Lu8Tl12V16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6462]
_cell_length_b [5.6286]
_cell_length_c [14.0050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu2Tl3V4N3]
_chemical_formula_sum '[Lu8 Tl12 V16 N12]'
_cell_volume [741.2464]
_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  0.0498  0.4183  0.9035  1
  Tl  Tl1  8  0.1963  0.3854  0.2495  1
  Tl  Tl2  4  0.0000  0.0252  0.7500  1
  V  V3  8  0.1070  0.0738  0.0627  1
  V  V4  8  0.2235  0.0822  0.4372  1
  N  N5  8  0.0824  0.2531  0.4997  1
  N  N6  4  0.2500  0.2500  0.0000  1
]