data_[Nd2Dy1Hf1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  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 [6.0037]
_cell_length_b [3.4566]
_cell_length_c [6.0738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd2DyHfN4]
_chemical_formula_sum '[Nd2 Dy1 Hf1 N4]'
_cell_volume [119.1839]
_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
[
  Nd  Nd0  1  0.0000  0.5000  0.5000  1.0
  Nd  Nd1  1  0.5000  0.0000  0.5000  1.0
  Dy  Dy2  1  0.5000  0.5000  0.0000  1.0
  Hf  Hf3  1  0.0000  0.0000  0.0000  1.0
  N  N4  2  0.2269  0.5000  0.2187  1.0
  N  N5  2  0.2422  0.0000  0.7750  1.0
]