data_[Li4Ho12Tl8]
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
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [6.4334]
_cell_length_b [15.9627]
_cell_length_c [6.4110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [LiHo3Tl2]
_chemical_formula_sum '[Li4 Ho12 Tl8]'
_cell_volume [658.3839]
_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  0.0000  0.2500  1.0
  Ho  Ho1  8  0.2302  0.1774  0.5000  1.0
  Ho  Ho2  4  0.0000  0.5000  0.2500  1.0
  Tl  Tl3  8  0.2432  0.1299  0.0000  1.0
]