data_[Li8Fe8Cu4P12O48]
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
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.6125]
_cell_length_b [8.6720]
_cell_length_c [8.5099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li2Fe2Cu(PO4)3]
_chemical_formula_sum '[Li8 Fe8 Cu4 P12 O48]'
_cell_volume [891.6321]
_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  0.1998  0.4496  0.8997  1
  Li  Li1  2  0.0000  0.1435  0.0000  1
  Li  Li2  2  0.0000  0.8504  0.5000  1
  Fe  Fe3  4  0.1014  0.7481  0.8977  1
  Fe  Fe4  4  0.1071  0.2508  0.3897  1
  Cu  Cu5  4  0.2463  0.7540  0.7373  1
  P  P6  4  0.1418  0.1078  0.7859  1
  P  P7  4  0.1518  0.8995  0.3037  1
  P  P8  2  0.0000  0.4498  0.0000  1
  P  P9  2  0.0000  0.5328  0.5000  1
  O  O10  4  0.0361  0.1606  0.7695  1
  O  O11  4  0.0433  0.8454  0.2740  1
  O  O12  4  0.0646  0.4383  0.4430  1
  O  O13  4  0.0666  0.5422  0.9447  1
  O  O14  4  0.0859  0.3397  0.1623  1
  O  O15  4  0.0872  0.6439  0.6603  1
  O  O16  4  0.1477  0.1521  0.6197  1
  O  O17  4  0.1550  0.0802  0.3020  1
  O  O18  4  0.1598  0.9294  0.8079  1
  O  O19  4  0.1633  0.8570  0.1405  1
  O  O20  4  0.2350  0.1751  0.9830  1
  O  O21  4  0.2442  0.8265  0.4953  1
]