data_[K1Li1Ho2Br8]
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 [P2/m]
_cell_length_a [6.9583]
_cell_length_b [8.5869]
_cell_length_c [7.1761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KLiHo2Br8]
_chemical_formula_sum '[K1 Li1 Ho2 Br8]'
_cell_volume [425.2976]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Ho  Ho2  2  0.5000  0.2419  0.5000  1.0
  Br  Br3  4  0.2399  0.2187  0.1790  1.0
  Br  Br4  2  0.2888  0.0000  0.6507  1.0
  Br  Br5  2  0.2989  0.5000  0.6411  1.0
]