data_[Mn8Zn4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7800]
_cell_length_b [5.8519]
_cell_length_c [5.8459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2ZnO4]
_chemical_formula_sum '[Mn8 Zn4 O16]'
_cell_volume [311.1282]
_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  4  0.2500  0.2500  0.0000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn3  4  0.1257  0.5000  0.3789  1.0
  O  O4  8  0.0045  0.2279  0.7514  1.0
  O  O5  4  0.2294  0.0000  0.2099  1.0
  O  O6  4  0.2487  0.0000  0.7768  1.0
]