data_[Mg6Mn12O24]
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 [R3m]
_cell_length_a [6.0770]
_cell_length_b [6.0770]
_cell_length_c [14.7896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgMn2O4]
_chemical_formula_sum '[Mg6 Mn12 O24]'
_cell_volume [473.0072]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.3746  1.0
  Mg  Mg1  3  0.0000  0.0000  0.9925  1.0
  Mn  Mn2  9  0.0018  0.5009  0.8752  1.0
  Mn  Mn3  3  0.0000  0.0000  0.7558  1.0
  O  O4  9  0.0349  0.5174  0.1359  1.0
  O  O5  9  0.1821  0.8179  0.9486  1.0
  O  O6  3  0.0000  0.0000  0.1280  1.0
  O  O7  3  0.0000  0.0000  0.6197  1.0
]