data_[Hf4Se16Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4_2/ncm]
_cell_length_a [10.9863]
_cell_length_b [10.9863]
_cell_length_c [10.6393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [138]
_chemical_formula_structural [Hf(Se2Cl3)2]
_chemical_formula_sum '[Hf4 Se16 Cl24]'
_cell_volume [1284.1553]
_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  0.2500  0.2500  0.2500  1
  Se  Se1  8  0.1444  0.8556  0.2500  1
  Se  Se2  8  0.1584  0.6584  0.1696  1
  Cl  Cl3  16  0.0815  0.1934  0.1062  1
  Cl  Cl4  8  0.1152  0.3848  0.3645  1
]