data_[Li18Mn2Si4O20]
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 [P1]
_cell_length_a [5.3604]
_cell_length_b [5.9201]
_cell_length_c [15.3089]
_cell_angle_alpha [96.2417]
_cell_angle_beta [98.0980]
_cell_angle_gamma [91.9668]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li9Mn(SiO5)2]
_chemical_formula_sum '[Li18 Mn2 Si4 O20]'
_cell_volume [477.5097]
_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
[
  Li  Li0  1  0.0035  0.3485  0.2631  1
  Li  Li1  1  0.0410  0.9193  0.2660  1
  Li  Li2  1  0.1504  0.7419  0.4697  1
  Li  Li3  1  0.2201  0.3969  0.1341  1
  Li  Li4  1  0.2278  0.5289  0.6143  1
  Li  Li5  1  0.2418  0.0588  0.6091  1
  Li  Li6  1  0.2505  0.4994  0.9869  1
  Li  Li7  1  0.4369  0.6962  0.3609  1
  Li  Li8  1  0.4779  0.8343  0.7234  1
  Li  Li9  1  0.4951  0.1601  0.2665  1
  Li  Li10  1  0.6573  0.1667  0.8280  1
  Li  Li11  1  0.7281  0.5206  0.0232  1
  Li  Li12  1  0.7677  0.6127  0.8717  1
  Li  Li13  1  0.8013  0.9768  0.3919  1
  Li  Li14  1  0.8075  0.4605  0.3908  1
  Li  Li15  1  0.8247  0.2674  0.5453  1
  Li  Li16  1  0.9504  0.6530  0.7283  1
  Li  Li17  1  0.9686  0.0687  0.7288  1
  Mn  Mn18  1  0.0266  0.0174  0.9115  1
  Mn  Mn19  1  0.0871  0.9284  0.0933  1
  Si  Si20  1  0.2879  0.3729  0.8137  1
  Si  Si21  1  0.3048  0.2328  0.4323  1
  Si  Si22  1  0.6725  0.6538  0.1920  1
  Si  Si23  1  0.7115  0.7703  0.5643  1
  O  O24  1  0.0070  0.3142  0.8476  1
  O  O25  1  0.1096  0.1882  0.0234  1
  O  O26  1  0.1598  0.1293  0.1945  1
  O  O27  1  0.1757  0.9783  0.3850  1
  O  O28  1  0.1803  0.4453  0.3775  1
  O  O29  1  0.2318  0.2766  0.5316  1
  O  O30  1  0.2849  0.5858  0.7566  1
  O  O31  1  0.3404  0.1329  0.7553  1
  O  O32  1  0.4154  0.7867  0.5843  1
  O  O33  1  0.4658  0.6153  0.0999  1
  O  O34  1  0.5055  0.4134  0.9033  1
  O  O35  1  0.6082  0.2271  0.4233  1
  O  O36  1  0.6635  0.8837  0.2597  1
  O  O37  1  0.6652  0.4396  0.2510  1
  O  O38  1  0.7379  0.7338  0.4570  1
  O  O39  1  0.8172  0.8764  0.8085  1
  O  O40  1  0.8464  0.5603  0.6122  1
  O  O41  1  0.8721  0.0067  0.6109  1
  O  O42  1  0.9594  0.6646  0.1539  1
  O  O43  1  0.9988  0.7546  0.9749  1
]