# generated using pymatgen
data_Li2NiH8(CO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89107000
_cell_length_b   6.05957700
_cell_length_c   12.08555650
_cell_angle_alpha   67.92470981
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NiH8(CO5)2
_chemical_formula_sum   'Li4 Ni2 H16 C4 O20'
_cell_volume   399.79558642
_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  1  0.27707200  0.77835000  0.81544500  1
  Li  Li1  1  0.77707200  0.22165000  0.68455500  1
  Li  Li2  1  0.22292800  0.77835000  0.31544500  1
  Li  Li3  1  0.72292800  0.22165000  0.18455500  1
  Ni  Ni4  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni5  1  0.50000000  0.00000000  0.50000000  1
  H  H6  1  0.68787200  0.76528800  0.98380300  1
  H  H7  1  0.67286000  0.32926900  0.92858000  1
  H  H8  1  0.91025200  0.44958000  0.89639100  1
  H  H9  1  0.83561700  0.80962100  0.86341400  1
  H  H10  1  0.41025200  0.55042000  0.60360900  1
  H  H11  1  0.17286000  0.67073100  0.57142000  1
  H  H12  1  0.33561700  0.19037900  0.63658600  1
  H  H13  1  0.18787200  0.23471200  0.51619700  1
  H  H14  1  0.81212800  0.76528800  0.48380300  1
  H  H15  1  0.66438300  0.80962100  0.36341400  1
  H  H16  1  0.82714000  0.32926900  0.42858000  1
  H  H17  1  0.58974800  0.44958000  0.39639100  1
  H  H18  1  0.16438300  0.19037900  0.13658600  1
  H  H19  1  0.08974800  0.55042000  0.10360900  1
  H  H20  1  0.32714000  0.67073100  0.07142000  1
  H  H21  1  0.31212800  0.23471200  0.01619700  1
  C  C22  1  0.35644100  0.26459500  0.81521900  1
  C  C23  1  0.85644100  0.73540500  0.68478100  1
  C  C24  1  0.14355900  0.26459500  0.31521900  1
  C  C25  1  0.64355900  0.73540500  0.18478100  1
  O  O26  1  0.82974700  0.31945700  0.96135000  1
  O  O27  1  0.39759700  0.39259300  0.87837700  1
  O  O28  1  0.75208700  0.89219600  0.90995000  1
  O  O29  1  0.20483100  0.09813000  0.84638600  1
  O  O30  1  0.97157100  0.69737600  0.78242300  1
  O  O31  1  0.47157100  0.30262400  0.71757700  1
  O  O32  1  0.70483100  0.90187000  0.65361400  1
  O  O33  1  0.89759700  0.60740700  0.62162300  1
  O  O34  1  0.32974700  0.68054300  0.53865000  1
  O  O35  1  0.25208700  0.10780400  0.59005000  1
  O  O36  1  0.74791300  0.89219600  0.40995000  1
  O  O37  1  0.67025300  0.31945700  0.46135000  1
  O  O38  1  0.10240300  0.39259300  0.37837700  1
  O  O39  1  0.29516900  0.09813000  0.34638600  1
  O  O40  1  0.52842900  0.69737600  0.28242300  1
  O  O41  1  0.02842900  0.30262400  0.21757700  1
  O  O42  1  0.79516900  0.90187000  0.15361400  1
  O  O43  1  0.24791300  0.10780400  0.09005000  1
  O  O44  1  0.60240300  0.60740700  0.12162300  1
  O  O45  1  0.17025300  0.68054300  0.03865000  1
