data_[Li4Fe6P8O28]
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 [P2_1/c]
_cell_length_a [7.3823]
_cell_length_b [7.9703]
_cell_length_c [9.5388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2Fe3(P2O7)2]
_chemical_formula_sum '[Li4 Fe6 P8 O28]'
_cell_volume [529.5819]
_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  0.2976  0.5863  0.8694  1
  Fe  Fe1  4  0.1913  0.6241  0.5192  1
  Fe  Fe2  2  0.0000  0.0000  0.5000  1
  P  P3  4  0.1143  0.2062  0.8052  1
  P  P4  4  0.4052  0.5412  0.2781  1
  O  O5  4  0.0167  0.7081  0.8596  1
  O  O6  4  0.0363  0.0805  0.8939  1
  O  O7  4  0.1475  0.1223  0.3790  1
  O  O8  4  0.2954  0.5974  0.1173  1
  O  O9  4  0.3180  0.1403  0.8044  1
  O  O10  4  0.3790  0.6638  0.3932  1
  O  O11  4  0.3852  0.5074  0.6993  1
]