data_[K2Ho2Ag2Br12]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.6034]
_cell_length_b [11.9700]
_cell_length_c [7.3557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KHoAgBr6]
_chemical_formula_sum '[K2 Ho2 Ag2 Br12]'
_cell_volume [667.2879]
_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  2  0.0000  0.0095  0.5000  1.0
  Ho  Ho1  2  0.0000  0.6796  0.0000  1.0
  Ag  Ag2  2  0.0000  0.3333  0.0000  1.0
  Br  Br3  4  0.1162  0.4953  0.2234  1.0
  Br  Br4  4  0.1750  0.8125  0.2528  1.0
  Br  Br5  4  0.1880  0.1799  0.1898  1.0
]