data_[Li4Fe2P2C2O14]
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 [P1]
_cell_length_a [5.0227]
_cell_length_b [6.3485]
_cell_length_c [8.4138]
_cell_angle_alpha [95.2429]
_cell_angle_beta [95.3028]
_cell_angle_gamma [93.0545]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2FePCO7]
_chemical_formula_sum '[Li4 Fe2 P2 C2 O14]'
_cell_volume [265.5085]
_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  1  0.2948  0.0557  0.7190  1
  Li  Li1  1  0.6463  0.5738  0.2179  1
  Li  Li2  1  0.7567  0.1379  0.2286  1
  Li  Li3  1  0.7863  0.7975  0.8853  1
  Fe  Fe4  1  0.2143  0.8356  0.3161  1
  Fe  Fe5  1  0.8309  0.3500  0.6429  1
  P  P6  1  0.2962  0.3445  0.4008  1
  P  P7  1  0.7482  0.8364  0.5548  1
  C  C8  1  0.3255  0.8582  0.0274  1
  C  C9  1  0.7504  0.3357  0.9157  1
  O  O10  1  0.0780  0.8310  0.0598  1
  O  O11  1  0.1456  0.1427  0.3083  1
  O  O12  1  0.1748  0.4011  0.5581  1
  O  O13  1  0.2800  0.5271  0.2889  1
  O  O14  1  0.4015  0.8747  0.8904  1
  O  O15  1  0.4492  0.8872  0.5209  1
  O  O16  1  0.5054  0.8655  0.1553  1
  O  O17  1  0.5657  0.2950  0.7930  1
  O  O18  1  0.6035  0.3057  0.4286  1
  O  O19  1  0.7030  0.3365  0.0609  1
  O  O20  1  0.7741  0.6594  0.6685  1
  O  O21  1  0.8602  0.7704  0.3923  1
  O  O22  1  0.9060  0.0359  0.6445  1
  O  O23  1  0.9847  0.3810  0.8673  1
]