data_[K4Hf2Br4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8427]
_cell_length_b [7.2853]
_cell_length_c [7.5192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Hf(BrCl2)2]
_chemical_formula_sum '[K4 Hf2 Br4 Cl8]'
_cell_volume [592.1622]
_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
[
  K  K0  4  0.2454  0.5000  0.7178  1
  Hf  Hf1  2  0.0000  0.0000  0.5000  1
  Br  Br2  4  0.2339  0.0000  0.8168  1
  Cl  Cl3  8  0.0475  0.2376  0.3221  1
]