data_[Pr4Mg2Al2O12]
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
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5679]
_cell_length_b [5.3716]
_cell_length_c [5.5757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2MgAlO6]
_chemical_formula_sum '[Pr4 Mg2 Al2 O12]'
_cell_volume [234.4232]
_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  0.2489  0.5000  0.7405  1.0
  Mg  Mg1  2  0.0000  0.5000  0.0000  1.0
  Al  Al2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.0455  0.2429  0.3061  1.0
  O  O4  4  0.2393  0.0000  0.8213  1.0
]