data_[Tm3Sc3Cr6O18]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.3233]
_cell_length_b [5.3233]
_cell_length_c [13.8970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TmScCr2O6]
_chemical_formula_sum '[Tm3 Sc3 Cr6 O18]'
_cell_volume [341.0497]
_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  0.2002  1
  Sc  Sc1  3  0.0000  0.0000  0.6929  1
  Cr  Cr2  3  0.0000  0.0000  0.4833  1
  Cr  Cr3  3  0.0000  0.0000  0.9853  1
  O  O4  9  0.0187  0.3791  0.7450  1
  O  O5  9  0.0233  0.6233  0.2474  1
]