data_[Li4Nd4Hf8N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2837]
_cell_length_b [10.7550]
_cell_length_c [11.0347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiNdHf2N4]
_chemical_formula_sum '[Li4 Nd4 Hf8 N16]'
_cell_volume [389.7096]
_cell_formula_units_Z [4]
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  4  0.0000  0.1601  0.2500  1
  Nd  Nd1  4  0.0000  0.1061  0.7500  1
  Hf  Hf2  8  0.0000  0.3660  0.5576  1
  N  N3  8  0.0000  0.2619  0.1094  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4385  0.7500  1
]