data_[Tl12V16W8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6168]
_cell_length_b [5.4871]
_cell_length_c [13.5151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3V4W2N3]
_chemical_formula_sum '[Tl12 V16 W8 N12]'
_cell_volume [692.5601]
_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
[
  Tl  Tl0  8  0.1692  0.4152  0.2506  1
  Tl  Tl1  4  0.0000  0.0781  0.7500  1
  V  V2  8  0.1068  0.0901  0.0694  1
  V  V3  8  0.2296  0.0837  0.4308  1
  W  W4  8  0.0575  0.4179  0.9272  1
  N  N5  8  0.0871  0.2347  0.4995  1
  N  N6  4  0.2500  0.2500  0.0000  1
]