data_[Ho12Sc15Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9748]
_cell_length_b [4.9748]
_cell_length_c [45.9636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho4Sc5Tl2]
_chemical_formula_sum '[Ho12 Sc15 Tl6]'
_cell_volume [985.1151]
_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  0.2777  1
  Ho  Ho1  6  0.0000  0.0000  0.4281  1
  Sc  Sc2  6  0.0000  0.0000  0.1980  1
  Sc  Sc3  6  0.0000  0.0000  0.3509  1
  Sc  Sc4  3  -0.0000  -0.0000  0.5000  1
  Tl  Tl5  6  0.0000  0.0000  0.1279  1
]