data_[Na4Y4Hf4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7070]
_cell_length_b [3.3171]
_cell_length_c [22.4515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaYHf]
_chemical_formula_sum '[Na4 Y4 Hf4]'
_cell_volume [350.5497]
_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
[
  Na  Na0  2  0.0000  0.0000  0.2065  1
  Na  Na1  2  0.5000  0.0000  0.7937  1
  Y  Y2  2  0.0000  0.0000  0.3878  1
  Y  Y3  2  0.5000  0.0000  0.6062  1
  Hf  Hf4  2  0.0000  0.0000  0.0222  1
  Hf  Hf5  2  0.5000  0.0000  0.4722  1
]