data_[Li18Mn6Si12O42]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2_1]
_cell_length_a [8.5098]
_cell_length_b [13.1703]
_cell_length_c [8.5889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2969]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Li3MnSi2O7]
_chemical_formula_sum '[Li18 Mn6 Si12 O42]'
_cell_volume [847.5839]
_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
[
  Li  Li0  2  0.0137  0.4323  0.0158  1
  Li  Li1  2  0.0308  0.0643  0.3333  1
  Li  Li2  2  0.0352  0.4031  0.3463  1
  Li  Li3  2  0.3146  0.0674  0.9878  1
  Li  Li4  2  0.3180  0.7296  0.6451  1
  Li  Li5  2  0.3221  0.3967  0.9870  1
  Li  Li6  2  0.3235  0.9033  0.2959  1
  Li  Li7  2  0.3252  0.5636  0.3008  1
  Li  Li8  2  0.3632  0.2322  0.7176  1
  Mn  Mn9  2  0.0108  0.7250  0.0206  1
  Mn  Mn10  2  0.3332  0.0098  0.6656  1
  Mn  Mn11  2  0.3390  0.4576  0.6701  1
  Si  Si12  2  0.0124  0.8462  0.3377  1
  Si  Si13  2  0.0159  0.6202  0.3443  1
  Si  Si14  2  0.3156  0.8423  0.9568  1
  Si  Si15  2  0.3222  0.6218  0.9629  1
  Si  Si16  2  0.3559  0.1229  0.3357  1
  Si  Si17  2  0.3615  0.3479  0.3383  1
  O  O18  2  0.0837  0.1273  0.8725  1
  O  O19  2  0.0854  0.3359  0.8802  1
  O  O20  2  0.1119  0.7341  0.4208  1
  O  O21  2  0.1303  0.1040  0.5850  1
  O  O22  2  0.1353  0.3620  0.5932  1
  O  O23  2  0.1427  0.1306  0.2182  1
  O  O24  2  0.1477  0.3505  0.2196  1
  O  O25  2  0.1710  0.9299  0.4072  1
  O  O26  2  0.1786  0.5393  0.4204  1
  O  O27  2  0.1909  0.8389  0.0568  1
  O  O28  2  0.2028  0.6250  0.0674  1
  O  O29  2  0.2366  0.9314  0.8036  1
  O  O30  2  0.2437  0.5318  0.8111  1
  O  O31  2  0.2838  0.7313  0.8481  1
  O  O32  2  0.4292  0.1015  0.5479  1
  O  O33  2  0.4333  0.3670  0.5504  1
  O  O34  2  0.4370  0.0388  0.2475  1
  O  O35  2  0.4453  0.4297  0.2497  1
  O  O36  2  0.4481  0.2350  0.3264  1
  O  O37  2  0.4680  0.1130  0.8986  1
  O  O38  2  0.4761  0.3526  0.8999  1
]