data_[Na4Mn4S4O4]
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 [P2_1]
_cell_length_a [5.5294]
_cell_length_b [5.7253]
_cell_length_c [9.3500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1672]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [NaMnSO]
_chemical_formula_sum '[Na4 Mn4 S4 O4]'
_cell_volume [295.9367]
_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  2  0.2035  0.0551  0.9541  1
  Na  Na1  2  0.3761  0.7070  0.7393  1
  Mn  Mn2  2  0.0349  0.2271  0.4580  1
  Mn  Mn3  2  0.4680  0.7156  0.4232  1
  S  S4  2  0.1542  0.3056  0.1899  1
  S  S5  2  0.3211  0.6485  0.1618  1
  O  O6  2  0.2559  0.4774  0.5551  1
  O  O7  2  0.2595  0.9637  0.5393  1
]