data_[Li12Fe12Si12O48]
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 [P2_1/c]
_cell_length_a [8.7869]
_cell_length_b [8.0575]
_cell_length_c [17.4587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiFeSiO4]
_chemical_formula_sum '[Li12 Fe12 Si12 O48]'
_cell_volume [1073.9873]
_cell_formula_units_Z [12]
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  4  0.1254  0.5487  0.4079  1
  Li  Li1  4  0.2207  0.5286  0.9429  1
  Li  Li2  4  0.4989  0.6838  0.2511  1
  Fe  Fe3  4  0.1355  0.7303  0.0950  1
  Fe  Fe4  4  0.1839  0.2140  0.2708  1
  Fe  Fe5  4  0.4596  0.2248  0.0696  1
  Si  Si6  4  0.1463  0.1678  0.5915  1
  Si  Si7  4  0.1846  0.6710  0.7758  1
  Si  Si8  4  0.4606  0.6685  0.5754  1
  O  O9  4  0.0258  0.7165  0.4731  1
  O  O10  4  0.0628  0.7185  0.3039  1
  O  O11  4  0.0738  0.5103  0.1069  1
  O  O12  4  0.0789  0.6366  0.6680  1
  O  O13  4  0.2293  0.0063  0.3293  1
  O  O14  4  0.2632  0.2344  0.1861  1
  O  O15  4  0.2667  0.1348  0.5439  1
  O  O16  4  0.3269  0.1427  0.8637  1
  O  O17  4  0.3603  0.0102  0.0365  1
  O  O18  4  0.3721  0.7329  0.3071  1
  O  O19  4  0.3800  0.7434  0.1331  1
  O  O20  4  0.4155  0.7126  0.9894  1
]