data_[Na18Mn30O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [10.7701]
_cell_length_b [6.1239]
_cell_length_c [20.4408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na9Mn15O32]
_chemical_formula_sum '[Na18 Mn30 O64]'
_cell_volume [1317.8785]
_cell_formula_units_Z [2]
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  4  0.0236  0.0000  0.5908  1
  Na  Na1  4  0.0324  0.5000  0.0908  1
  Na  Na2  4  0.2132  0.5000  0.6532  1
  Na  Na3  4  0.2136  0.0000  0.1585  1
  Na  Na4  2  0.0000  0.5000  0.5000  1
  Mn  Mn5  8  0.0003  0.2520  0.2520  1
  Mn  Mn6  4  0.1237  0.0000  0.8743  1
  Mn  Mn7  4  0.1351  0.5000  0.3765  1
  Mn  Mn8  4  0.2491  0.0000  0.7491  1
  Mn  Mn9  4  0.2500  0.2500  0.0000  1
  Mn  Mn10  4  0.2500  0.2500  0.5000  1
  Mn  Mn11  2  0.0000  0.0000  0.0000  1
  O  O12  8  0.0772  0.2140  0.9486  1
  O  O13  8  0.0965  0.2820  0.4318  1
  O  O14  8  0.1746  0.2153  0.8014  1
  O  O15  8  0.1767  0.2903  0.3056  1
  O  O16  4  0.0305  0.5000  0.6904  1
  O  O17  4  0.0336  0.0000  0.1939  1
  O  O18  4  0.0717  0.0000  0.6997  1
  O  O19  4  0.0720  0.5000  0.2006  1
  O  O20  4  0.2027  0.0000  0.5554  1
  O  O21  4  0.2038  0.5000  0.5465  1
  O  O22  4  0.2117  0.0000  0.0514  1
  O  O23  4  0.2171  0.5000  0.0586  1
]