data_[Pr4Mg2Ti2O12]
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 [P2_1/c]
_cell_length_a [5.5278]
_cell_length_b [5.6720]
_cell_length_c [9.6244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2MgTiO6]
_chemical_formula_sum '[Pr4 Mg2 Ti2 O12]'
_cell_volume [246.9118]
_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  0.2625  0.5499  0.7507  1.0
  Mg  Mg1  2  0.5000  0.0000  0.0000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1545  0.5259  0.2429  1.0
  O  O4  4  0.2485  0.2146  0.0487  1.0
  O  O5  4  0.3304  0.7004  0.0456  1.0
]