data_[La2Nd1Hf1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [P2/m]
_cell_length_a [6.1680]
_cell_length_b [3.5333]
_cell_length_c [6.2402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9804]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La2NdHfN4]
_chemical_formula_sum '[La2 Nd1 Hf1 N4]'
_cell_volume [128.5985]
_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
[
  La  La0  1  0.0000  0.5000  0.5000  1
  La  La1  1  0.5000  0.0000  0.5000  1
  Nd  Nd2  1  0.5000  0.5000  0.0000  1
  Hf  Hf3  1  0.0000  0.0000  0.0000  1
  N  N4  2  0.2204  0.5000  0.2180  1
  N  N5  2  0.2301  0.0000  0.7761  1
]