data_[Hf12Zn4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0701]
_cell_length_b [3.8329]
_cell_length_c [9.1412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3ZnO]
_chemical_formula_sum '[Hf12 Zn4 O4]'
_cell_volume [352.4725]
_cell_formula_units_Z [4]
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  4  0.1245  0.0000  0.4447  1
  Hf  Hf1  4  0.1251  0.0000  0.9289  1
  Hf  Hf2  4  0.1643  0.5000  0.2085  1
  Zn  Zn3  4  0.1030  0.5000  0.6798  1
  O  O4  4  0.0855  0.0000  0.1691  1
]