data_[Tm18Cr3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.5770]
_cell_length_b [9.5770]
_cell_length_c [9.1859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tm6CrO12]
_chemical_formula_sum '[Tm18 Cr3 O36]'
_cell_volume [729.6383]
_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  18  0.0441  0.2569  0.6441  1.0
  Cr  Cr1  3  0.0000  0.0000  0.0000  1.0
  O  O2  18  0.0332  0.2237  0.4009  1.0
  O  O3  18  0.0392  0.1812  0.8887  1.0
]