data_[Pr4Tm2Ti2O12]
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
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6809]
_cell_length_b [5.9303]
_cell_length_c [9.8041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2467]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2TmTiO6]
_chemical_formula_sum '[Pr4 Tm2 Ti2 O12]'
_cell_volume [273.0307]
_cell_formula_units_Z [2]
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  4  0.2299  0.5613  0.7486  1
  Tm  Tm1  2  0.5000  0.0000  0.0000  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1286  0.7053  0.4390  1
  O  O4  4  0.2389  0.1920  0.4449  1
  O  O5  4  0.3510  0.5390  0.2378  1
]