data_[Li14Fe8P16O56]
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 [P-1]
_cell_length_a [9.8881]
_cell_length_b [9.8952]
_cell_length_c [11.1501]
_cell_angle_alpha [77.6624]
_cell_angle_beta [89.8611]
_cell_angle_gamma [89.9920]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li7Fe4(P2O7)4]
_chemical_formula_sum '[Li14 Fe8 P16 O56]'
_cell_volume [1065.7844]
_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  2  0.0641  0.6509  0.4694  1
  Li  Li1  2  0.0933  0.6512  0.9546  1
  Li  Li2  2  0.1073  0.0854  0.9706  1
  Li  Li3  2  0.2761  0.8882  0.4485  1
  Li  Li4  2  0.3932  0.5882  0.9701  1
  Li  Li5  2  0.4069  0.1534  0.9575  1
  Li  Li6  2  0.4099  0.1814  0.4476  1
  Fe  Fe7  2  0.0729  0.8006  0.6720  1
  Fe  Fe8  2  0.2126  0.2539  0.1798  1
  Fe  Fe9  2  0.2860  0.7500  0.1805  1
  Fe  Fe10  2  0.4215  0.3009  0.6706  1
  P  P11  2  0.0482  0.5241  0.2408  1
  P  P12  2  0.0704  0.9394  0.2416  1
  P  P13  2  0.1512  0.1243  0.5765  1
  P  P14  2  0.2066  0.3803  0.8859  1
  P  P15  2  0.2948  0.8806  0.8906  1
  P  P16  2  0.3548  0.6216  0.5733  1
  P  P17  2  0.4312  0.4381  0.2434  1
  P  P18  2  0.4559  0.0227  0.2421  1
  O  O19  2  0.0315  0.3780  0.2097  1
  O  O20  2  0.0615  0.2155  0.4814  1
  O  O21  2  0.0664  0.9355  0.1069  1
  O  O22  2  0.0774  0.1155  0.7079  1
  O  O23  2  0.0832  0.5220  0.3718  1
  O  O24  2  0.0891  0.0846  0.2690  1
  O  O25  2  0.1010  0.4023  0.7752  1
  O  O26  2  0.1365  0.6157  0.1412  1
  O  O27  2  0.1469  0.2735  0.9966  1
  O  O28  2  0.1687  0.9763  0.5584  1
  O  O29  2  0.1709  0.8146  0.8445  1
  O  O30  2  0.1771  0.8354  0.3090  1
  O  O31  2  0.2158  0.6873  0.5764  1
  O  O32  2  0.2303  0.5181  0.9196  1
  O  O33  2  0.2754  0.0203  0.9220  1
  O  O34  2  0.2918  0.1872  0.5936  1
  O  O35  2  0.3260  0.3324  0.3068  1
  O  O36  2  0.3304  0.3160  0.8327  1
  O  O37  2  0.3517  0.4701  0.5645  1
  O  O38  2  0.3648  0.7781  0.9995  1
  O  O39  2  0.3659  0.1076  0.1424  1
  O  O40  2  0.3976  0.9036  0.7739  1
  O  O41  2  0.4142  0.0228  0.3731  1
  O  O42  2  0.4200  0.5848  0.2736  1
  O  O43  2  0.4235  0.6246  0.7042  1
  O  O44  2  0.4373  0.4436  0.1072  1
  O  O45  2  0.4443  0.7172  0.4758  1
  O  O46  2  0.4741  0.8706  0.2214  1
]