data_[Li14Fe14P12O48F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [13.6092]
_cell_length_b [13.6092]
_cell_length_c [6.4102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [Li7Fe7P6(O8F)3]
_chemical_formula_sum '[Li14 Fe14 P12 O48 F6]'
_cell_volume [1028.1782]
_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  6  0.0770  0.2589  0.2547  1
  Li  Li1  6  0.1278  0.5047  0.7562  1
  Li  Li2  2  0.3333  0.6667  0.9294  1
  Fe  Fe3  6  0.1219  0.7037  0.0130  1
  Fe  Fe4  6  0.1266  0.7031  0.5082  1
  Fe  Fe5  2  0.0000  0.0000  0.0059  1
  P  P6  6  0.0638  0.2467  0.7555  1
  P  P7  6  0.1166  0.4869  0.2602  1
  O  O8  6  0.0014  0.3708  0.2539  1
  O  O9  6  0.0078  0.6919  0.2583  1
  O  O10  6  0.0104  0.8877  0.2524  1
  O  O11  6  0.1188  0.5506  0.4611  1
  O  O12  6  0.1300  0.5566  0.0602  1
  O  O13  6  0.1371  0.2814  0.9541  1
  O  O14  6  0.1376  0.2833  0.5577  1
  O  O15  6  0.2147  0.4596  0.2626  1
  F  F16  6  0.2442  0.7257  0.7744  1
]