data_[Ce2Hf2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8687]
_cell_length_b [3.2188]
_cell_length_c [6.9060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeHfBeN3]
_chemical_formula_sum '[Ce2 Hf2 Be2 N6]'
_cell_volume [148.4250]
_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  2  0.2182  0.2500  0.1840  1.0
  Hf  Hf1  2  0.1698  0.2500  0.6602  1.0
  Be  Be2  2  0.4019  0.7500  0.9208  1.0
  N  N3  2  0.1439  0.7500  0.8794  1.0
  N  N4  2  0.1619  0.7500  0.4368  1.0
  N  N5  2  0.4795  0.2500  0.8325  1.0
]