data_[K4Ho4Cu4Br20]
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
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2133]
_cell_length_b [12.3472]
_cell_length_c [10.4679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KHoCuBr5]
_chemical_formula_sum '[K4 Ho4 Cu4 Br20]'
_cell_volume [1093.9578]
_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  0.3544  0.7500  1.0
  Ho  Ho1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3099  0.2500  1.0
  Br  Br3  8  0.1142  0.2030  0.1145  1.0
  Br  Br4  8  0.1892  0.4310  0.4314  1.0
  Br  Br5  4  0.0000  0.0835  0.7500  1.0
]