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 [P6_422]
_cell_length_a [10.9405]
_cell_length_b [10.9405]
_cell_length_c [11.6111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [181]
_chemical_formula_structural [LiFeSiO4]
_chemical_formula_sum '[Li12 Fe12 Si12 O48]'
_cell_volume [1203.5882]
_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  6  0.0000  0.5000  0.0127  1
  Li  Li1  3  0.0000  0.0000  0.1667  1
  Li  Li2  3  0.0000  0.5000  0.3333  1
  Fe  Fe3  6  0.0000  0.2508  0.3333  1
  Fe  Fe4  6  0.2449  0.4897  0.0000  1
  Si  Si5  6  0.0000  0.2511  0.8333  1
  Si  Si6  6  0.2535  0.5069  0.5000  1
  O  O7  12  0.0675  0.3776  0.9300  1
  O  O8  12  0.0966  0.2052  0.2245  1
  O  O9  12  0.1203  0.4196  0.4110  1
  O  O10  12  0.1974  0.5966  0.5756  1
]