data_[La5Mn5O18]
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 [P1]
_cell_length_a [5.4097]
_cell_length_b [5.4837]
_cell_length_c [12.2230]
_cell_angle_alpha [102.9550]
_cell_angle_beta [101.7872]
_cell_angle_gamma [90.0166]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La5Mn5O18]
_chemical_formula_sum '[La5 Mn5 O18]'
_cell_volume [345.5108]
_cell_formula_units_Z [1]
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  1  0.0797  0.5813  0.1619  1
  La  La1  1  0.4195  0.9234  0.8386  1
  La  La2  1  0.5784  0.0785  0.1553  1
  La  La3  1  0.7505  0.2495  0.4999  1
  La  La4  1  0.9236  0.4265  0.8439  1
  Mn  Mn5  1  0.1697  0.1763  0.3375  1
  Mn  Mn6  1  0.3316  0.3278  0.6605  1
  Mn  Mn7  1  0.5005  0.5020  0.0002  1
  Mn  Mn8  1  0.6668  0.6751  0.3392  1
  Mn  Mn9  1  0.8333  0.8271  0.6628  1
  O  O10  1  0.0397  0.5350  0.6563  1
  O  O11  1  0.0923  0.1381  0.1794  1
  O  O12  1  0.1121  0.0838  0.6944  1
  O  O13  1  0.2306  0.2743  0.9886  1
  O  O14  1  0.2524  0.1963  0.5026  1
  O  O15  1  0.2835  0.7679  0.0132  1
  O  O16  1  0.3902  0.8875  0.3057  1
  O  O17  1  0.4180  0.4699  0.8332  1
  O  O18  1  0.4626  0.3837  0.3440  1
  O  O19  1  0.5580  0.5901  0.6525  1
  O  O20  1  0.5852  0.5350  0.1672  1
  O  O21  1  0.6214  0.1226  0.6881  1
  O  O22  1  0.7099  0.2277  0.9828  1
  O  O23  1  0.7467  0.8069  0.4972  1
  O  O24  1  0.7749  0.7247  0.0157  1
  O  O25  1  0.8770  0.9324  0.3114  1
  O  O26  1  0.9053  0.8686  0.8207  1
  O  O27  1  0.9368  0.4382  0.3471  1
]