data_[K1Ho1Ge2Br8]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6597]
_cell_length_b [7.2755]
_cell_length_c [9.2243]
_cell_angle_alpha [86.1115]
_cell_angle_beta [89.1791]
_cell_angle_gamma [85.5742]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KHo(GeBr4)2]
_chemical_formula_sum '[K1 Ho1 Ge2 Br8]'
_cell_volume [444.5674]
_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  0.0000  0.5000  1.0
  Ho  Ho1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4561  0.4496  0.7588  1.0
  Br  Br3  2  0.2278  0.8214  0.7914  1.0
  Br  Br4  2  0.2303  0.3163  0.9682  1.0
  Br  Br5  2  0.2669  0.8605  0.2223  1.0
  Br  Br6  2  0.2716  0.3613  0.5475  1.0
]