data_[Mn8O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.7115]
_cell_length_b [6.7115]
_cell_length_c [4.6499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Mn4O5]
_chemical_formula_sum '[Mn8 O10]'
_cell_volume [209.4477]
_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  8  0.1115  0.7052  0.5000  1.0
  O  O1  8  0.1123  0.6743  0.0000  1.0
  O  O2  2  0.0000  0.0000  0.5000  1.0
]