data_[Ta4Tl1Ge1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.0676]
_cell_length_b [3.0676]
_cell_length_c [14.4110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ta4TlGeN2]
_chemical_formula_sum '[Ta4 Tl1 Ge1 N2]'
_cell_volume [117.4389]
_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
[
  Ta  Ta0  2  0.0000  0.0000  0.1733  1
  Ta  Ta1  2  0.3333  0.6667  0.3555  1
  Tl  Tl2  1  0.3333  0.6667  0.0000  1
  Ge  Ge3  1  0.0000  0.0000  0.5000  1
  N  N4  2  0.6667  0.3333  0.2652  1
]