data_[Ho20Tl12]
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
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0912]
_cell_length_b [8.0912]
_cell_length_c [14.0538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ho5Tl3]
_chemical_formula_sum '[Ho20 Tl12]'
_cell_volume [920.0668]
_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  16  0.1576  0.3424  0.1529  1.0
  Ho  Ho1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.1375  0.3625  0.5000  1.0
  Tl  Tl3  4  0.0000  0.0000  0.2500  1.0
]