data_[Ce6Ho2Hf4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.8642]
_cell_length_b [10.1559]
_cell_length_c [6.0333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3HoHf2N6]
_chemical_formula_sum '[Ce6 Ho2 Hf4 N12]'
_cell_volume [339.9923]
_cell_formula_units_Z [2]
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  4  0.0000  0.1652  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.0000  1.0
  Hf  Hf3  4  0.0000  0.3333  0.0000  1.0
  N  N4  8  0.2487  0.1744  0.2226  1.0
  N  N5  4  0.2241  0.5000  0.2197  1.0
]