data_[K4Ho4Hf2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0454]
_cell_length_b [12.1091]
_cell_length_c [8.2254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Ho2HfSe6]
_chemical_formula_sum '[K4 Ho4 Hf2 Se12]'
_cell_volume [670.9418]
_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  0.0000  0.1702  0.0000  1
  Ho  Ho1  4  0.0000  0.3330  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.2273  0.1580  0.6985  1
  Se  Se4  4  0.2484  0.0000  0.3031  1
]