data_[Li4Ho4Tl4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8871]
_cell_length_b [12.0485]
_cell_length_c [9.9837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiHoTlCl5]
_chemical_formula_sum '[Li4 Ho4 Tl4 Cl20]'
_cell_volume [979.7538]
_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
[
  Li  Li0  4  0.0000  0.3090  0.7500  1.0
  Ho  Ho1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.3495  0.2500  1.0
  Cl  Cl3  8  0.1055  0.1981  0.6082  1.0
  Cl  Cl4  8  0.1942  0.4351  0.9228  1.0
  Cl  Cl5  4  0.0000  0.0751  0.2500  1.0
]