data_[K1Ho2Cu1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0409]
_cell_length_b [7.9651]
_cell_length_c [8.0680]
_cell_angle_alpha [81.0706]
_cell_angle_beta [87.3661]
_cell_angle_gamma [64.0708]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KHo2CuCl8]
_chemical_formula_sum '[K1 Ho2 Cu1 Cl8]'
_cell_volume [401.8655]
_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  2  0.0337  0.4749  0.7571  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1518  0.7685  0.1961  1.0
  Cl  Cl4  2  0.2259  0.2877  0.4987  1.0
  Cl  Cl5  2  0.2336  0.2881  0.0502  1.0
  Cl  Cl6  2  0.2724  0.6369  0.7251  1.0
]