data_[La8Mn8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [5.5749]
_cell_length_b [5.5749]
_cell_length_c [15.7956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [LaMnO3]
_chemical_formula_sum '[La8 Mn8 O24]'
_cell_volume [490.9143]
_cell_formula_units_Z [8]
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
[
  La  La0  4  0.0000  0.5000  0.0000  1.0
  La  La1  4  0.0000  0.5000  0.2500  1.0
  Mn  Mn2  4  0.0000  0.0000  0.1242  1.0
  Mn  Mn3  4  0.0000  0.0000  0.3762  1.0
  O  O4  16  0.2409  0.2409  0.1234  1.0
  O  O5  4  0.0000  0.0000  0.2510  1.0
  O  O6  2  0.0000  0.0000  0.0000  1.0
  O  O7  2  0.0000  0.0000  0.5000  1.0
]