data_[Pr12Mg4O20]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5614]
_cell_length_b [6.5614]
_cell_length_c [12.0667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pr3MgO5]
_chemical_formula_sum '[Pr12 Mg4 O20]'
_cell_volume [519.4967]
_cell_formula_units_Z [4]
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  8  0.1713  0.3287  0.0000  1
  Pr  Pr1  4  0.0000  0.0000  0.2500  1
  Mg  Mg2  4  0.0000  0.5000  0.2500  1
  O  O3  16  0.1624  0.3376  0.3499  1
  O  O4  4  0.0000  0.0000  0.0000  1
]