data_[K4Li4Ho4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2485]
_cell_length_b [12.6801]
_cell_length_c [10.5337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KLiHoBr5]
_chemical_formula_sum '[K4 Li4 Ho4 Br20]'
_cell_volume [1134.0186]
_cell_formula_units_Z [4]
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  0.3496  0.2500  1.0
  Li  Li1  4  0.0000  0.3084  0.7500  1.0
  Ho  Ho2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1128  0.1980  0.6101  1.0
  Br  Br4  8  0.1898  0.4357  0.9302  1.0
  Br  Br5  4  0.0000  0.0811  0.2500  1.0
]