data_[Pr18Tm6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0380]
_cell_length_b [10.0380]
_cell_length_c [11.6695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr3TmO6]
_chemical_formula_sum '[Pr18 Tm6 O36]'
_cell_volume [1018.3050]
_cell_formula_units_Z [6]
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
[
  Pr  Pr0  18  0.0390  0.7728  0.7084  1.0
  Tm  Tm1  3  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  3  0.0000  0.0000  0.5000  1.0
  O  O3  18  0.0274  0.8433  0.3783  1.0
  O  O4  18  0.0290  0.8181  0.9055  1.0
]