data_[Tm3Sc3In6O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.5515]
_cell_length_b [5.5515]
_cell_length_c [14.8142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TmScIn2O6]
_chemical_formula_sum '[Tm3 Sc3 In6 O18]'
_cell_volume [395.3910]
_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
[
  Tm  Tm0  3  0.0000  0.0000  0.8089  1.0
  Sc  Sc1  3  0.0000  0.0000  0.3127  1.0
  In  In2  3  0.0000  0.0000  0.0228  1.0
  In  In3  3  0.0000  0.0000  0.5249  1.0
  O  O4  9  0.0116  0.3096  0.9168  1.0
  O  O5  9  0.0435  0.6691  0.0807  1.0
]