data_[Na3Li6Mn5O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8818]
_cell_length_b [5.8944]
_cell_length_c [9.2760]
_cell_angle_alpha [96.0384]
_cell_angle_beta [96.1451]
_cell_angle_gamma [119.7923]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3Li6Mn5O9]
_chemical_formula_sum '[Na3 Li6 Mn5 O9]'
_cell_volume [272.7709]
_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
[
  Na  Na0  1  0.1627  0.8405  0.4953  1
  Na  Na1  1  0.4814  0.4842  0.4870  1
  Na  Na2  1  0.8371  0.1616  0.4958  1
  Li  Li3  1  0.0143  0.3388  0.0649  1
  Li  Li4  1  0.0682  0.0713  0.2471  1
  Li  Li5  1  0.3347  0.0178  0.0648  1
  Li  Li6  1  0.3608  0.3643  0.9640  1
  Li  Li7  1  0.6482  0.9300  0.9738  1
  Li  Li8  1  0.9200  0.6547  0.9812  1
  Mn  Mn9  1  0.2636  0.5835  0.7554  1
  Mn  Mn10  1  0.4250  0.7475  0.2414  1
  Mn  Mn11  1  0.5847  0.2717  0.7557  1
  Mn  Mn12  1  0.7450  0.4254  0.2437  1
  Mn  Mn13  1  0.8901  0.8889  0.7575  1
  O  O14  1  0.0256  0.0301  0.9956  1
  O  O15  1  0.0976  0.4260  0.2951  1
  O  O16  1  0.2043  0.2068  0.6745  1
  O  O17  1  0.2857  0.6612  0.0026  1
  O  O18  1  0.4225  0.0971  0.2951  1
  O  O19  1  0.5488  0.9020  0.6712  1
  O  O20  1  0.6572  0.2903  0.0043  1
  O  O21  1  0.7784  0.7798  0.3243  1
  O  O22  1  0.8962  0.5487  0.6634  1
]