data_[Ba10Nd16Mn8O42]
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 [I4/m]
_cell_length_a [14.2329]
_cell_length_b [14.2329]
_cell_length_c [5.8883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Ba5Nd8Mn4O21]
_chemical_formula_sum '[Ba10 Nd16 Mn8 O42]'
_cell_volume [1192.8253]
_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
[
  Ba  Ba0  8  0.0316  0.3641  0.5000  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Nd  Nd2  8  0.0888  0.8561  0.5000  1
  Nd  Nd3  8  0.1682  0.2471  0.0000  1
  Mn  Mn4  8  0.0403  0.7476  0.0000  1
  O  O5  16  0.0460  0.1787  0.2473  1
  O  O6  16  0.1473  0.7388  0.2451  1
  O  O7  8  0.0325  0.3775  0.0000  1
  O  O8  2  0.0000  0.0000  0.5000  1
]