data_[Na12Mn24O48]
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 [Cc]
_cell_length_a [11.8301]
_cell_length_b [5.8926]
_cell_length_c [16.0437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaMn2O4]
_chemical_formula_sum '[Na12 Mn24 O48]'
_cell_volume [1041.0541]
_cell_formula_units_Z [12]
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  0.0414  0.1371  0.6558  1
  Na  Na1  4  0.1966  0.1367  0.3235  1
  Na  Na2  4  0.2131  0.3735  0.8539  1
  Mn  Mn3  4  0.0759  0.3724  0.0033  1
  Mn  Mn4  4  0.1350  0.1262  0.4977  1
  Mn  Mn5  4  0.3039  0.3753  0.6620  1
  Mn  Mn6  4  0.3048  0.8758  0.6624  1
  Mn  Mn7  4  0.4483  0.3785  0.3296  1
  Mn  Mn8  4  0.4491  0.1273  0.8290  1
  O  O9  4  0.1141  0.3677  0.4095  1
  O  O10  4  0.1141  0.1151  0.9096  1
  O  O11  4  0.1373  0.1041  0.0871  1
  O  O12  4  0.1376  0.3582  0.5859  1
  O  O13  4  0.2811  0.8746  0.2406  1
  O  O14  4  0.2814  0.3758  0.2402  1
  O  O15  4  0.3337  0.1254  0.5962  1
  O  O16  4  0.3341  0.3742  0.0989  1
  O  O17  4  0.4120  0.1246  0.3940  1
  O  O18  4  0.4179  0.3732  0.8956  1
  O  O19  4  0.4738  0.3780  0.7546  1
  O  O20  4  0.4750  0.1284  0.2563  1
]