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 [P-1]
_cell_length_a [5.0842]
_cell_length_b [6.4879]
_cell_length_c [8.3453]
_cell_angle_alpha [91.4218]
_cell_angle_beta [95.9578]
_cell_angle_gamma [90.4637]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2FePCO7]
_chemical_formula_sum '[Li4 Fe2 P2 C2 O14]'
_cell_volume [273.6875]
_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  0.2106  0.2672  0.1014  1
  Li  Li1  2  0.2691  0.9691  0.7275  1
  Fe  Fe2  2  0.2048  0.7441  0.3301  1
  P  P3  2  0.2662  0.2430  0.4189  1
  C  C4  2  0.3257  0.7705  0.0466  1
  O  O5  2  0.0783  0.7403  0.0740  1
  O  O6  2  0.1319  0.2440  0.5755  1
  O  O7  2  0.1502  0.0666  0.3005  1
  O  O8  2  0.2203  0.4395  0.3187  1
  O  O9  2  0.4012  0.7853  0.9074  1
  O  O10  2  0.4313  0.7914  0.5385  1
  O  O11  2  0.4928  0.7814  0.1776  1
]