data_[K2Rb2Hf2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [8.0250]
_cell_length_b [8.0250]
_cell_length_c [13.4486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [KRbHfBr6]
_chemical_formula_sum '[K2 Rb2 Hf2 Br12]'
_cell_volume [750.0579]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.0000  1
  K  K1  2  0.3333  0.6667  0.2500  1
  Hf  Hf2  2  0.3333  0.6667  0.7500  1
  Br  Br3  12  0.0642  0.4020  0.6364  1
]