data_[Li6Fe4P4C4O28]
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
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [8.3831]
_cell_length_b [6.4736]
_cell_length_c [10.2764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li3Fe2P2(CO7)2]
_chemical_formula_sum '[Li6 Fe4 P4 C4 O28]'
_cell_volume [555.6114]
_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  0.0981  0.4981  0.1197  1
  Li  Li1  2  0.2853  0.2946  0.3742  1
  Li  Li2  2  0.8893  0.0039  0.8874  1
  Fe  Fe3  2  0.3334  0.0027  0.0993  1
  Fe  Fe4  2  0.6705  0.4963  0.9011  1
  P  P5  2  0.4207  0.4980  0.1356  1
  P  P6  2  0.5775  0.0069  0.3617  1
  C  C7  2  0.0433  0.0001  0.1495  1
  C  C8  2  0.9618  0.4919  0.3537  1
  O  O9  2  0.0737  0.0076  0.5272  1
  O  O10  2  0.1017  0.4674  0.3161  1
  O  O11  2  0.1706  0.0103  0.2339  1
  O  O12  2  0.3069  0.3166  0.5938  1
  O  O13  2  0.3086  0.3110  0.0978  1
  O  O14  2  0.4210  0.0281  0.4317  1
  O  O15  2  0.4639  0.4903  0.2862  1
  O  O16  2  0.5235  0.0008  0.2138  1
  O  O17  2  0.5737  0.4975  0.5650  1
  O  O18  2  0.6805  0.1846  0.9011  1
  O  O19  2  0.6925  0.1904  0.3939  1
  O  O20  2  0.8390  0.4905  0.7683  1
  O  O21  2  0.9071  0.0022  0.6913  1
  O  O22  2  0.9288  0.4995  0.4752  1
]