data_[Mn12Si12O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.7080]
_cell_length_b [4.9516]
_cell_length_c [10.2169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn3Si3O10]
_chemical_formula_sum '[Mn12 Si12 O40]'
_cell_volume [794.3655]
_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
[
  Mn  Mn0  8  0.1536  0.2190  0.7734  1
  Mn  Mn1  4  0.2500  0.2500  0.5000  1
  Si  Si2  8  0.1453  0.3027  0.0894  1
  Si  Si3  4  0.0000  0.1872  0.2500  1
  O  O4  8  0.0538  0.3916  0.1521  1
  O  O5  8  0.0688  0.0099  0.3358  1
  O  O6  8  0.1586  0.0234  0.6072  1
  O  O7  8  0.1614  0.4098  0.9403  1
  O  O8  8  0.2176  0.4860  0.1751  1
]