data_[Li2Ni2P4O14]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.6556]
_cell_length_b [8.2456]
_cell_length_c [4.5666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiNiP2O7]
_chemical_formula_sum '[Li2 Ni2 P4 O14]'
_cell_volume [242.6859]
_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  0.0000  0.5106  0.0000  1.0
  Ni  Ni1  2  0.0000  0.8791  0.0000  1.0
  P  P2  4  0.2078  0.2175  0.4144  1.0
  O  O3  4  0.1298  0.6976  0.2858  1.0
  O  O4  4  0.1764  0.0528  0.2558  1.0
  O  O5  4  0.2462  0.3547  0.2073  1.0
  O  O6  2  0.0000  0.2776  0.5000  1.0
]