data_[Pr2Mg1Ti4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7244]
_cell_length_b [5.8045]
_cell_length_c [9.3443]
_cell_angle_alpha [73.2575]
_cell_angle_beta [82.6897]
_cell_angle_gamma [75.5748]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pr2MgTi4O12]
_chemical_formula_sum '[Pr2 Mg1 Ti4 O12]'
_cell_volume [287.4331]
_cell_formula_units_Z [1]
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  1  0.5973  0.5943  0.3312  1
  Pr  Pr1  1  0.9748  0.0429  0.7298  1
  Mg  Mg2  1  0.4734  0.3163  0.1100  1
  Ti  Ti3  1  0.0802  0.5974  0.5574  1
  Ti  Ti4  1  0.4954  0.9379  0.9445  1
  Ti  Ti5  1  0.5093  0.0347  0.4966  1
  Ti  Ti6  1  0.9311  0.3819  0.9785  1
  O  O7  1  0.0307  0.4206  0.7449  1
  O  O8  1  0.2394  0.8349  0.5508  1
  O  O9  1  0.2519  0.2102  0.0064  1
  O  O10  1  0.2618  0.3918  0.4496  1
  O  O11  1  0.3963  0.6887  0.0887  1
  O  O12  1  0.4039  0.9765  0.7602  1
  O  O13  1  0.4984  0.0500  0.3017  1
  O  O14  1  0.7213  0.2115  0.5220  1
  O  O15  1  0.7222  0.1885  0.9490  1
  O  O16  1  0.7640  0.7355  0.5057  1
  O  O17  1  0.8152  0.3740  0.1675  1
  O  O18  1  0.8252  0.7386  0.9141  1
]