data_[Ho3Sc3Tl6O18]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.7083]
_cell_length_b [5.7083]
_cell_length_c [15.1311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [HoScTl2O6]
_chemical_formula_sum '[Ho3 Sc3 Tl6 O18]'
_cell_volume [426.9907]
_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  3  0.0000  0.0000  0.8113  1.0
  Sc  Sc1  3  0.0000  0.0000  0.3147  1.0
  Tl  Tl2  3  0.0000  0.0000  0.0299  1.0
  Tl  Tl3  3  0.0000  0.0000  0.5324  1.0
  O  O4  9  0.0136  0.3777  0.5808  1.0
  O  O5  9  0.0155  0.7199  0.4103  1.0
]