data_[Ho12Mg3Tl3Zn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1655]
_cell_length_b [5.1655]
_cell_length_c [25.6980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho4MgTlZn2]
_chemical_formula_sum '[Ho12 Mg3 Tl3 Zn6]'
_cell_volume [593.8273]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1246  1.0
  Ho  Ho1  6  0.0000  0.0000  0.3765  1.0
  Mg  Mg2  3  -0.0000  -0.0000  0.5000  1.0
  Tl  Tl3  3  0.0000  0.0000  0.0000  1.0
  Zn  Zn4  6  0.0000  0.0000  0.2408  1.0
]