data_[Mg2Mn8O16]
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 [C2/m]
_cell_length_a [9.9475]
_cell_length_b [5.7319]
_cell_length_c [6.3746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgMn4O8]
_chemical_formula_sum '[Mg2 Mn8 O16]'
_cell_volume [284.1846]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1.0
  Mn  Mn1  4  0.1846  0.5000  0.9337  1.0
  Mn  Mn2  4  0.2500  0.2500  0.5000  1.0
  O  O3  8  0.2039  0.2336  0.1462  1.0
  O  O4  4  0.0831  0.5000  0.3573  1.0
  O  O5  4  0.0917  0.0000  0.3775  1.0
]