data_[Li2Fe2Si8O19]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9144]
_cell_length_b [7.4303]
_cell_length_c [11.6911]
_cell_angle_alpha [71.5636]
_cell_angle_beta [80.9045]
_cell_angle_gamma [71.7973]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2Fe2Si8O19]
_chemical_formula_sum '[Li2 Fe2 Si8 O19]'
_cell_volume [383.8911]
_cell_formula_units_Z [1]
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  0.3014  0.0312  0.4283  1
  Li  Li1  1  0.7383  0.0639  0.6079  1
  Fe  Fe2  1  0.2340  0.7218  0.6374  1
  Fe  Fe3  1  0.6638  0.2750  0.3544  1
  Si  Si4  1  0.0919  0.3361  0.5354  1
  Si  Si5  1  0.1056  0.1378  0.8040  1
  Si  Si6  1  0.1386  0.8028  0.1963  1
  Si  Si7  1  0.2480  0.2196  0.1578  1
  Si  Si8  1  0.5039  0.3277  0.8876  1
  Si  Si9  1  0.6159  0.7327  0.8360  1
  Si  Si10  1  0.7663  0.6139  0.1123  1
  Si  Si11  1  0.8695  0.7642  0.4657  1
  O  O12  1  0.0865  0.5546  0.5500  1
  O  O13  1  0.1720  0.0259  0.1465  1
  O  O14  1  0.2961  0.2786  0.8126  1
  O  O15  1  0.3152  0.9133  0.8300  1
  O  O16  1  0.3754  0.3265  0.0237  1
  O  O17  1  0.4096  0.1995  0.5135  1
  O  O18  1  0.4421  0.1730  0.2667  1
  O  O19  1  0.4664  0.6493  0.1982  1
  O  O20  1  0.5140  0.5548  0.8074  1
  O  O21  1  0.5414  0.7718  0.5105  1
  O  O22  1  0.7060  0.6421  0.9750  1
  O  O23  1  0.8214  0.1666  0.8978  1
  O  O24  1  0.8595  0.7983  0.7388  1
  O  O25  1  0.8779  0.3692  0.4374  1
  O  O26  1  0.9295  0.3802  0.1768  1
  O  O27  1  0.9587  0.7607  0.1054  1
  O  O28  1  0.9627  0.9445  0.4839  1
  O  O29  1  0.9644  0.7604  0.3252  1
  O  O30  1  0.9725  0.2125  0.6719  1
]