data_[Pr2Mg2O8]
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 [C2/m]
_cell_length_a [6.4540]
_cell_length_b [4.0820]
_cell_length_c [6.1381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrMgO4]
_chemical_formula_sum '[Pr2 Mg2 O8]'
_cell_volume [156.9289]
_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  2  0.0000  0.5000  0.5000  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  O  O2  4  0.0915  0.5000  0.9537  1
  O  O3  4  0.1236  0.0000  0.3305  1
]