data_[Sc3Tl6In3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.6524]
_cell_length_b [5.6524]
_cell_length_c [14.8402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [ScTl2InO6]
_chemical_formula_sum '[Sc3 Tl6 In3 O18]'
_cell_volume [410.6099]
_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
[
  Sc  Sc0  3  0.0000  0.0000  0.3128  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0334  1.0
  Tl  Tl2  3  0.0000  0.0000  0.5324  1.0
  In  In3  3  0.0000  0.0000  0.8132  1.0
  O  O4  9  0.0162  0.3829  0.5792  1.0
  O  O5  9  0.0267  0.7224  0.4107  1.0
]