data_[Ce2Pr1Hf1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  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 [6.0575]
_cell_length_b [3.4672]
_cell_length_c [6.1173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce2PrHfN4]
_chemical_formula_sum '[Ce2 Pr1 Hf1 N4]'
_cell_volume [121.4320]
_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  0.5000  0.0000  0.5000  1.0
  Ce  Ce1  1  0.5000  0.5000  0.0000  1.0
  Pr  Pr2  1  0.0000  0.5000  0.5000  1.0
  Hf  Hf3  1  0.0000  0.0000  0.0000  1.0
  N  N4  2  0.2288  0.5000  0.2186  1.0
  N  N5  2  0.2432  0.0000  0.7807  1.0
]