data_[Mg4Mn8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [3.1079]
_cell_length_b [10.0846]
_cell_length_c [9.3420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [MgMn2O4]
_chemical_formula_sum '[Mg4 Mn8 O16]'
_cell_volume [292.8007]
_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
[
  Mg  Mg0  4  0.0000  0.4043  0.7500  1.0
  Mn  Mn1  8  0.0985  0.1395  0.9301  1.0
  O  O2  8  0.1818  0.7770  0.8837  1.0
  O  O3  4  0.0000  0.0419  0.7500  1.0
  O  O4  4  0.0026  0.5000  0.5000  1.0
]