data_[Ba8Y4Mn12O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.6192]
_cell_length_b [5.6192]
_cell_length_c [23.6050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba2YMn3O8]
_chemical_formula_sum '[Ba8 Y4 Mn12 O32]'
_cell_volume [745.3399]
_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  8  0.0000  0.5000  0.0839  1
  Y  Y1  4  0.0000  0.5000  0.2500  1
  Mn  Mn2  4  0.0000  0.0000  0.1754  1
  Mn  Mn3  4  0.0000  0.0000  0.3319  1
  Mn  Mn4  2  0.0000  0.0000  0.0000  1
  Mn  Mn5  2  0.0000  0.0000  0.5000  1
  O  O6  16  0.2402  0.2402  0.8096  1
  O  O7  8  0.2498  0.2498  0.5000  1
  O  O8  4  0.0000  0.0000  0.0826  1
  O  O9  4  0.0000  0.0000  0.4188  1
]