data_[Pr4Mn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2125]
_cell_length_b [5.4594]
_cell_length_c [10.6051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr2MnO6]
_chemical_formula_sum '[Pr4 Mn2 O12]'
_cell_volume [243.8897]
_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  0.0000  0.0000  0.3227  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  O  O2  8  0.0000  0.2453  0.8556  1
  O  O3  4  0.0000  0.3707  0.5000  1
]