data_[Na8Mn12S16O64]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [14.7102]
_cell_length_b [9.8569]
_cell_length_c [8.6381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2Mn3(SO4)4]
_chemical_formula_sum '[Na8 Mn12 S16 O64]'
_cell_volume [1252.5024]
_cell_formula_units_Z [4]
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  8  0.1358  0.2875  0.2770  1
  Mn  Mn1  8  0.1411  0.0884  0.7461  1
  Mn  Mn2  4  0.0000  0.4371  0.8986  1
  S  S3  8  0.2191  0.3791  0.9410  1
  S  S4  4  0.0000  0.1309  0.0439  1
  S  S5  4  0.0000  0.3040  0.5601  1
  O  O6  8  0.0831  0.0788  0.1176  1
  O  O7  8  0.0835  0.2269  0.5905  1
  O  O8  8  0.1430  0.4685  0.8926  1
  O  O9  8  0.1961  0.0789  0.3617  1
  O  O10  8  0.2005  0.2358  0.8992  1
  O  O11  8  0.2325  0.3896  0.1108  1
  O  O12  4  0.0000  0.0975  0.8739  1
  O  O13  4  0.0000  0.2822  0.0627  1
  O  O14  4  0.0000  0.3422  0.3921  1
  O  O15  4  0.0000  0.4337  0.6498  1
]