data_[Cs4K2Ho2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9228]
_cell_length_b [8.0665]
_cell_length_c [13.7848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2KHoCl6]
_chemical_formula_sum '[Cs4 K2 Ho2 Cl12]'
_cell_volume [721.6527]
_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
[
  Cs  Cs0  4  0.2393  0.5439  0.7501  1.0
  K  K1  2  0.5000  0.0000  0.0000  1.0
  Ho  Ho2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1540  0.7339  0.4648  1.0
  Cl  Cl4  4  0.2340  0.1915  0.4672  1.0
  Cl  Cl5  4  0.2942  0.5146  0.2291  1.0
]