data_[Li8Zr4Fe4P12O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  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 [10.8819]
_cell_length_b [10.1008]
_cell_length_c [13.6099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2ZrFe(PO4)3]
_chemical_formula_sum '[Li8 Zr4 Fe4 P12 O48]'
_cell_volume [1169.2586]
_cell_formula_units_Z [4]
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  0.1228  0.1777  0.7647  1
  Li  Li1  4  0.1633  0.0993  0.1474  1
  Zr  Zr2  4  0.4572  0.5368  0.7378  1
  Fe  Fe3  4  0.2149  0.6224  0.8328  1
  P  P4  4  0.0539  0.5890  0.2916  1
  P  P5  4  0.4144  0.1953  0.1114  1
  P  P6  4  0.4684  0.2443  0.9208  1
  O  O7  4  0.0289  0.6173  0.3881  1
  O  O8  4  0.0673  0.7345  0.2500  1
  O  O9  4  0.1039  0.0221  0.3298  1
  O  O10  4  0.1871  0.0001  0.8257  1
  O  O11  4  0.2812  0.1049  0.0783  1
  O  O12  4  0.2870  0.5706  0.7431  1
  O  O13  4  0.3071  0.2123  0.3082  1
  O  O14  4  0.3810  0.1567  0.6104  1
  O  O15  4  0.4101  0.6438  0.0072  1
  O  O16  4  0.4408  0.6456  0.2567  1
  O  O17  4  0.4551  0.1707  0.0195  1
  O  O18  4  0.4640  0.6347  0.6123  1
]