data_[Li4Fe2Si2O8]
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 [Pmn2_1]
_cell_length_a [6.3310]
_cell_length_b [5.4006]
_cell_length_c [5.0091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2FeSiO4]
_chemical_formula_sum '[Li4 Fe2 Si2 O8]'
_cell_volume [171.2678]
_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  4  0.2498  0.6682  0.0578  1.0
  Fe  Fe1  2  0.0000  0.8289  0.5623  1.0
  Si  Si2  2  0.0000  0.1705  0.0497  1.0
  O  O3  4  0.2141  0.3147  0.1597  1.0
  O  O4  2  0.0000  0.1800  0.7201  1.0
  O  O5  2  0.0000  0.8769  0.1477  1.0
]