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 [Imm2]
_cell_length_a [5.8304]
_cell_length_b [5.8614]
_cell_length_c [8.8261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [MgMn4O8]
_chemical_formula_sum '[Mg2 Mn8 O16]'
_cell_volume [301.6256]
_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  0.5000  0.8862  1.0
  Mn  Mn1  4  0.0000  0.2548  0.5003  1.0
  Mn  Mn2  4  0.2444  0.5000  0.2519  1.0
  O  O3  4  0.0000  0.2238  0.7507  1.0
  O  O4  4  0.0000  0.2865  0.2492  1.0
  O  O5  4  0.2224  0.5000  0.4694  1.0
  O  O6  4  0.2254  0.0000  0.5234  1.0
]