data_[Ho4Tl4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8088]
_cell_length_b [11.8451]
_cell_length_c [9.9659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HoTlCuCl5]
_chemical_formula_sum '[Ho4 Tl4 Cu4 Cl20]'
_cell_volume [954.0810]
_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
[
  Ho  Ho0  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3503  0.2500  1.0
  Cu  Cu2  4  0.0000  0.3078  0.7500  1.0
  Cl  Cl3  8  0.1045  0.2023  0.6096  1.0
  Cl  Cl4  8  0.1916  0.4321  0.9224  1.0
  Cl  Cl5  4  0.0000  0.0754  0.2500  1.0
]