data_[K6Ho4Al2Se12]
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
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0969]
_cell_length_b [12.2979]
_cell_length_c [8.0198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Ho2AlSe6]
_chemical_formula_sum '[K6 Ho4 Al2 Se12]'
_cell_volume [668.4016]
_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  0.1715  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Ho  Ho2  4  0.0000  0.3339  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2206  0.1554  0.1958  1
  Se  Se5  4  0.2442  0.0000  0.8031  1
]