data_[Mg2Mn4O8]
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 [10.0580]
_cell_length_b [2.9002]
_cell_length_c [5.4980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgMn2O4]
_chemical_formula_sum '[Mg2 Mn4 O8]'
_cell_volume [156.6707]
_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  0.5000  1.0
  Mn  Mn1  4  0.2231  0.0000  0.2347  1.0
  O  O2  4  0.1195  0.5000  0.3623  1.0
  O  O3  4  0.1575  0.0000  0.8236  1.0
]