data_[Li2Cu1P6H20C2N6O22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2315]
_cell_length_b [9.0647]
_cell_length_c [9.3873]
_cell_angle_alpha [84.1570]
_cell_angle_beta [69.8670]
_cell_angle_gamma [72.0336]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CuP6H20C2(N3O11)2]
_chemical_formula_sum '[Li2 Cu1 P6 H20 C2 N6 O22]'
_cell_volume [549.5657]
_cell_formula_units_Z [1]
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  0.1738  0.0609  0.1550  1
  Cu  Cu1  1  0.5000  0.5000  0.5000  1
  P  P2  2  0.2729  0.8213  0.6536  1
  P  P3  2  0.3134  0.7949  0.3445  1
  P  P4  2  0.4243  0.0071  0.7958  1
  H  H5  2  0.0705  0.5759  0.6314  1
  H  H6  2  0.0734  0.1962  0.5704  1
  H  H7  2  0.1359  0.7118  0.9472  1
  H  H8  2  0.1612  0.3995  0.5970  1
  H  H9  2  0.1822  0.7308  0.1156  1
  H  H10  2  0.1991  0.4606  0.8509  1
  H  H11  2  0.2240  0.2195  0.4102  1
  H  H12  2  0.2717  0.3012  0.9602  1
  H  H13  2  0.3237  0.5052  0.2386  1
  H  H14  2  0.3555  0.3229  0.1712  1
  C  C15  2  0.2431  0.5071  0.0484  1
  N  N16  2  0.1833  0.6609  0.0362  1
  N  N17  2  0.2395  0.4176  0.9450  1
  N  N18  2  0.3060  0.4408  0.1636  1
  O  O19  2  0.0901  0.7997  0.7796  1
  O  O20  2  0.1110  0.2759  0.4977  1
  O  O21  2  0.1717  0.4835  0.6524  1
  O  O22  2  0.1747  0.8638  0.2529  1
  O  O23  2  0.2035  0.8814  0.5062  1
  O  O24  2  0.2642  0.0473  0.9466  1
  O  O25  2  0.3251  0.9756  0.6765  1
  O  O26  2  0.3667  0.6213  0.3624  1
  O  O27  2  0.3744  0.1168  0.2217  1
  O  O28  2  0.4697  0.6898  0.6105  1
  O  O29  2  0.4712  0.1663  0.7208  1
]