data_[Mn16Cl12O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9725]
_cell_length_b [6.8906]
_cell_length_c [7.7764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn4Cl3O2]
_chemical_formula_sum '[Mn16 Cl12 O8]'
_cell_volume [672.0123]
_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
[
  Mn  Mn0  8  0.0934  0.4695  0.6661  1
  Mn  Mn1  8  0.1390  0.1321  0.9574  1
  Cl  Cl2  8  0.2111  0.1362  0.6667  1
  Cl  Cl3  4  0.0000  0.1185  0.2500  1
  O  O4  8  0.0748  0.3989  0.9206  1
]