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 [Cmmm]
_cell_length_a [7.9035]
_cell_length_b [15.7786]
_cell_length_c [3.9393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LaMnO3]
_chemical_formula_sum '[La8 Mn8 O24]'
_cell_volume [491.2576]
_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  0.2468  0.0000  0.5000  1
  La  La1  4  0.2500  0.2500  0.5000  1
  Mn  Mn2  4  0.0000  0.1250  0.0000  1
  Mn  Mn3  4  0.0000  0.3756  0.0000  1
  O  O4  8  0.2390  0.1244  0.0000  1
  O  O5  4  0.0000  0.1239  0.5000  1
  O  O6  4  0.0000  0.2480  0.0000  1
  O  O7  4  0.0000  0.3749  0.5000  1
  O  O8  2  0.0000  0.0000  0.0000  1
  O  O9  2  0.0000  0.5000  0.0000  1
]