data_[Li7Fe5O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7390]
_cell_length_b [5.8778]
_cell_length_c [9.4225]
_cell_angle_alpha [92.2348]
_cell_angle_beta [90.3924]
_cell_angle_gamma [118.6956]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li7Fe5O16]
_chemical_formula_sum '[Li7 Fe5 O16]'
_cell_volume [278.4811]
_cell_formula_units_Z [1]
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  1  0.1764  0.3532  0.2846  1
  Li  Li1  1  0.3331  0.6669  0.5953  1
  Li  Li2  1  0.3459  0.1619  0.7858  1
  Li  Li3  1  0.6809  0.3439  0.0994  1
  Li  Li4  1  0.8244  0.1653  0.7846  1
  Li  Li5  1  0.9975  0.0009  0.0002  1
  Li  Li6  1  0.9989  0.0165  0.5211  1
  Fe  Fe7  1  0.1723  0.8398  0.2875  1
  Fe  Fe8  1  0.3315  0.6580  0.0137  1
  Fe  Fe9  1  0.6418  0.2925  0.5228  1
  Fe  Fe10  1  0.6651  0.8348  0.2851  1
  Fe  Fe11  1  0.8170  0.6367  0.7868  1
  O  O12  1  0.0505  0.5585  0.1534  1
  O  O13  1  0.1540  0.8014  0.8999  1
  O  O14  1  0.1744  0.3449  0.9246  1
  O  O15  1  0.3308  0.1562  0.4091  1
  O  O16  1  0.3532  0.6982  0.3877  1
  O  O17  1  0.4988  0.9692  0.1535  1
  O  O18  1  0.5097  0.5490  0.1552  1
  O  O19  1  0.5225  0.0325  0.6397  1
  O  O20  1  0.5237  0.4779  0.6507  1
  O  O21  1  0.6465  0.7997  0.8997  1
  O  O22  1  0.6852  0.3599  0.8953  1
  O  O23  1  0.8164  0.1629  0.4043  1
  O  O24  1  0.8256  0.6839  0.3968  1
  O  O25  1  0.9511  0.4827  0.6448  1
  O  O26  1  0.9801  0.9567  0.7135  1
  O  O27  1  0.9931  0.9964  0.1972  1
]