data_[Li6Fe6P6O24]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P31c]
_cell_length_a [7.4372]
_cell_length_b [7.4372]
_cell_length_c [9.6162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [159]
_chemical_formula_structural [LiFePO4]
_chemical_formula_sum '[Li6 Fe6 P6 O24]'
_cell_volume [460.6300]
_cell_formula_units_Z [6]
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  0.0512  0.2576  0.2588  1
  Fe  Fe1  6  0.0730  0.5963  0.4855  1
  P  P2  2  0.0000  0.0000  0.0071  1
  P  P3  2  0.3333  0.6667  0.1774  1
  P  P4  2  0.3333  0.6667  0.7869  1
  O  O5  6  0.1020  0.8765  0.4491  1
  O  O6  6  0.1141  0.4994  0.8325  1
  O  O7  6  0.1612  0.7108  0.1294  1
  O  O8  2  0.0000  0.0000  0.1675  1
  O  O9  2  0.3333  0.6667  0.3438  1
  O  O10  2  0.3333  0.6667  0.6186  1
]