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 [C2/m]
_cell_length_a [11.0946]
_cell_length_b [8.0282]
_cell_length_c [7.8251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.5056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaMnO3]
_chemical_formula_sum '[La8 Mn8 O24]'
_cell_volume [497.0720]
_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  0.2500  0.2500  0.0000  1.0
  La  La1  4  0.2500  0.2500  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn3  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn4  2  0.0000  0.5000  0.0000  1.0
  Mn  Mn5  2  0.0000  0.5000  0.5000  1.0
  O  O6  4  0.0000  0.2394  0.0000  1.0
  O  O7  4  0.0000  0.2616  0.5000  1.0
  O  O8  4  0.0575  0.0000  0.8140  1.0
  O  O9  4  0.0622  0.5000  0.7990  1.0
  O  O10  4  0.2374  0.5000  0.6729  1.0
  O  O11  4  0.2429  0.0000  0.6919  1.0
]