data_[Mn6Zn4O16]
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 [9.8519]
_cell_length_b [5.7893]
_cell_length_c [5.0193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn3Zn2O8]
_chemical_formula_sum '[Mn6 Zn4 O16]'
_cell_volume [280.2773]
_cell_formula_units_Z [2]
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  0.0000  0.2546  0.5000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.2057  0.5000  0.0980  1.0
  O  O3  8  0.1158  0.2261  0.8654  1.0
  O  O4  4  0.1000  0.0000  0.3686  1.0
  O  O5  4  0.1062  0.5000  0.4012  1.0
]