data_[Tl1V4Zn1N2]
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
  Zn  1.6500  1.3500  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9894]
_cell_length_b [2.9894]
_cell_length_c [13.0798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [TlV4ZnN2]
_chemical_formula_sum '[Tl1 V4 Zn1 N2]'
_cell_volume [101.2250]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  V  V1  2  0.0000  0.0000  0.3379  1
  V  V2  2  0.3333  0.6667  0.8180  1
  Zn  Zn3  1  0.3333  0.6667  0.5000  1
  N  N4  2  0.6667  0.3333  0.7399  1
]