data_[Na12Mn6Si12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Pmn2_1]
_cell_length_a [10.4362]
_cell_length_b [7.4632]
_cell_length_c [10.4530]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2Mn(SiO3)2]
_chemical_formula_sum '[Na12 Mn6 Si12 O36]'
_cell_volume [814.1595]
_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
[
  Na  Na0  4  0.2361  0.7277  0.4824  1
  Na  Na1  4  0.2384  0.7697  0.0113  1
  Na  Na2  2  0.0000  0.2360  0.2474  1
  Na  Na3  2  0.0000  0.2483  0.7522  1
  Mn  Mn4  2  0.0000  0.0159  0.0102  1
  Mn  Mn5  2  0.0000  0.4814  0.4835  1
  Mn  Mn6  2  0.0000  0.7482  0.2475  1
  Si  Si7  4  0.2271  0.9694  0.7414  1
  Si  Si8  4  0.2276  0.5332  0.7547  1
  Si  Si9  2  0.0000  0.5005  0.9683  1
  Si  Si10  2  0.0000  0.9992  0.5282  1
  O  O11  4  0.1264  0.4898  0.8727  1
  O  O12  4  0.1272  0.0100  0.6224  1
  O  O13  4  0.1370  0.9535  0.1889  1
  O  O14  4  0.1373  0.5446  0.3085  1
  O  O15  4  0.1625  0.0407  0.8736  1
  O  O16  4  0.1653  0.4656  0.6207  1
  O  O17  4  0.2468  0.7518  0.7507  1
  O  O18  2  0.0000  0.1909  0.4553  1
  O  O19  2  0.0000  0.3093  0.0419  1
  O  O20  2  0.0000  0.6939  0.0384  1
  O  O21  2  0.0000  0.8064  0.4571  1
]