data_[Li1Hf1Ta2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.3117]
_cell_length_b [3.1188]
_cell_length_c [5.4437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiHf(TaN2)2]
_chemical_formula_sum '[Li1 Hf1 Ta2 N4]'
_cell_volume [85.4344]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  1  0.5000  0.5000  0.0000  1.0
  Ta  Ta2  1  0.0000  0.5000  0.5000  1.0
  Ta  Ta3  1  0.5000  0.0000  0.5000  1.0
  N  N4  2  0.2441  0.0000  0.7512  1.0
  N  N5  2  0.2582  0.5000  0.2633  1.0
]