data_[K1Ca2Ho1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3806]
_cell_length_b [8.6498]
_cell_length_c [6.6212]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KCa2HoCl8]
_chemical_formula_sum '[K1 Ca2 Ho1 Cl8]'
_cell_volume [365.4192]
_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  0.5000  0.0000  1.0
  Ca  Ca1  2  0.5000  0.2540  0.5000  1.0
  Ho  Ho2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2315  0.2147  0.1716  1.0
  Cl  Cl4  2  0.2664  0.0000  0.6806  1.0
  Cl  Cl5  2  0.2792  0.5000  0.6372  1.0
]