data_[Ce1Er2Hf1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  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 [5.8679]
_cell_length_b [3.3933]
_cell_length_c [5.9217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeEr2HfN4]
_chemical_formula_sum '[Ce1 Er2 Hf1 N4]'
_cell_volume [111.3613]
_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
[
  Ce  Ce0  1  0.0000  0.5000  0.5000  1
  Er  Er1  1  0.5000  0.0000  0.5000  1
  Er  Er2  1  0.5000  0.5000  0.0000  1
  Hf  Hf3  1  0.0000  0.0000  0.0000  1
  N  N4  2  0.2356  0.5000  0.2322  1
  N  N5  2  0.2447  0.0000  0.7661  1
]