data_[Ho16Tl8Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.2766]
_cell_length_b [9.2766]
_cell_length_c [9.3093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Ho4Tl2Sn]
_chemical_formula_sum '[Ho16 Tl8 Sn4]'
_cell_volume [801.1248]
_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  0.0721  0.6785  0.4494  1.0
  Tl  Tl1  8  0.1200  0.7500  0.1250  1.0
  Sn  Sn2  4  0.0000  0.0000  0.5000  1.0
]