data_[Li2Hf4Zr6N12]
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
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0012]
_cell_length_b [3.2178]
_cell_length_c [6.4548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiHf2Zr3N6]
_chemical_formula_sum '[Li2 Hf4 Zr6 N12]'
_cell_volume [283.0309]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Hf  Hf1  4  0.1617  0.0000  0.3258  1.0
  Zr  Zr2  4  0.1589  0.0000  0.8356  1.0
  Zr  Zr3  2  0.0000  0.5000  0.5000  1.0
  N  N4  4  0.0032  0.0000  0.2571  1.0
  N  N5  4  0.1687  0.5000  0.5795  1.0
  N  N6  4  0.1689  0.5000  0.0913  1.0
]