data_[Li1Co2P4H3O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9601]
_cell_length_b [7.5745]
_cell_length_c [8.2170]
_cell_angle_alpha [89.9704]
_cell_angle_beta [87.8808]
_cell_angle_gamma [77.8644]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiCo2P4H3O16]
_chemical_formula_sum '[Li1 Co2 P4 H3 O16]'
_cell_volume [301.6041]
_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  1  0.3974  0.1428  0.8735  1
  Co  Co1  1  0.0045  0.5014  0.0028  1
  Co  Co2  1  0.4931  0.0048  0.4916  1
  P  P3  1  0.0953  0.7565  0.3351  1
  P  P4  1  0.4031  0.7498  0.8415  1
  P  P5  1  0.6025  0.2494  0.1600  1
  P  P6  1  0.8934  0.2417  0.6643  1
  H  H7  1  0.3275  0.6434  0.5375  1
  H  H8  1  0.6635  0.3732  0.4686  1
  H  H9  1  0.9409  0.0271  0.0391  1
  O  O10  1  0.0467  0.6848  0.1697  1
  O  O11  1  0.1583  0.1423  0.5696  1
  O  O12  1  0.2448  0.5937  0.8553  1
  O  O13  1  0.2470  0.5953  0.4408  1
  O  O14  1  0.2575  0.9245  0.9290  1
  O  O15  1  0.2677  0.9053  0.3223  1
  O  O16  1  0.3291  0.3063  0.0726  1
  O  O17  1  0.4322  0.7929  0.6581  1
  O  O18  1  0.5668  0.2072  0.3409  1
  O  O19  1  0.6873  0.1149  0.6828  1
  O  O20  1  0.6904  0.6845  0.9114  1
  O  O21  1  0.7397  0.0733  0.0594  1
  O  O22  1  0.7582  0.4122  0.5633  1
  O  O23  1  0.7710  0.3988  0.1457  1
  O  O24  1  0.8190  0.8455  0.4237  1
  O  O25  1  0.9833  0.3036  0.8265  1
]