data_[Li3Fe3P9O27]
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 [R3]
_cell_length_a [10.3452]
_cell_length_b [10.3452]
_cell_length_c [7.0841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiFe(PO3)3]
_chemical_formula_sum '[Li3 Fe3 P9 O27]'
_cell_volume [656.5856]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6545  1.0
  Fe  Fe1  3  0.0000  0.0000  0.0194  1.0
  P  P2  9  0.0992  0.7628  0.8494  1.0
  O  O3  9  0.0497  0.7004  0.0591  1.0
  O  O4  9  0.0686  0.8860  0.8090  1.0
  O  O5  9  0.2032  0.0759  0.1567  1.0
]