data_[Li2Ni2P2C2O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  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 [P2_1]
_cell_length_a [5.0890]
_cell_length_b [6.3530]
_cell_length_c [8.6342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiNiPCO7]
_chemical_formula_sum '[Li2 Ni2 P2 C2 O14]'
_cell_volume [278.4762]
_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  0.2223  0.5063  0.7685  1
  Ni  Ni1  2  0.2087  0.2497  0.3397  1
  P  P2  2  0.2797  0.7482  0.4289  1
  C  C3  2  0.2776  0.2495  0.0627  1
  O  O4  2  0.0465  0.2421  0.1182  1
  O  O5  2  0.1506  0.7287  0.5841  1
  O  O6  2  0.1679  0.9337  0.3287  1
  O  O7  2  0.2171  0.5587  0.3202  1
  O  O8  2  0.3117  0.2799  0.9224  1
  O  O9  2  0.4176  0.2711  0.5388  1
  O  O10  2  0.4703  0.2290  0.1694  1
]