data_[K4Hf2Br8Cl4]
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 [12.8998]
_cell_length_b [7.6169]
_cell_length_c [7.6356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Hf(Br2Cl)2]
_chemical_formula_sum '[K4 Hf2 Br8 Cl4]'
_cell_volume [608.3600]
_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  0.2466  0.0000  0.2504  1
  Hf  Hf1  2  0.0000  0.0000  0.5000  1
  Br  Br2  8  0.0400  0.2436  0.7779  1
  Cl  Cl3  4  0.2280  0.0000  0.6512  1
]