data_[Mn16Cl4O16]
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 [Cmcm]
_cell_length_a [9.5266]
_cell_length_b [7.6212]
_cell_length_c [7.5348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mn4ClO4]
_chemical_formula_sum '[Mn16 Cl4 O16]'
_cell_volume [547.0600]
_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  0.0000  0.1938  0.0597  1
  Mn  Mn1  8  0.2450  0.0021  0.2500  1
  Cl  Cl2  4  0.0000  0.3448  0.7500  1
  O  O3  8  0.1454  0.0000  0.0000  1
  O  O4  8  0.1464  0.2666  0.2500  1
]