data_[Ta4Cu1Pb1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.1934]
_cell_length_b [3.1934]
_cell_length_c [13.5481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ta4CuPbN2]
_chemical_formula_sum '[Ta4 Cu1 Pb1 N2]'
_cell_volume [119.6472]
_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  0.3186  1
  Ta  Ta1  2  0.6667  0.3333  0.1498  1
  Cu  Cu2  1  0.0000  0.0000  0.0000  1
  Pb  Pb3  1  0.6667  0.3333  0.5000  1
  N  N4  2  0.3333  0.6667  0.2332  1
]