data_[Hf2Be2N2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.2472]
_cell_length_b [3.2472]
_cell_length_c [7.2108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [HfBeNO]
_chemical_formula_sum '[Hf2 Be2 N2 O2]'
_cell_volume [76.0325]
_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
[
  Hf  Hf0  2  0.0000  0.5000  0.8194  1
  Be  Be1  2  0.0000  0.0000  0.5000  1
  N  N2  2  0.0000  0.5000  0.3598  1
  O  O3  2  0.0000  0.0000  0.0000  1
]