data_[Ba8Nd4Mn4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7171]
_cell_length_b [14.6088]
_cell_length_c [12.2076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2NdMnO5]
_chemical_formula_sum '[Ba8 Nd4 Mn4 O20]'
_cell_volume [662.9071]
_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
[
  Ba  Ba0  4  0.0000  0.0897  0.6564  1.0
  Ba  Ba1  4  0.0000  0.1445  0.3414  1.0
  Nd  Nd2  4  0.0000  0.2039  0.0529  1.0
  Mn  Mn3  4  0.0000  0.4456  0.4128  1.0
  O  O4  4  0.0000  0.0405  0.9631  1.0
  O  O5  4  0.0000  0.2759  0.6756  1.0
  O  O6  4  0.0000  0.3160  0.4301  1.0
  O  O7  4  0.0000  0.3535  0.0124  1.0
  O  O8  4  0.0000  0.4891  0.7792  1.0
]