# generated using pymatgen
data_LiAl(CN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47871300
_cell_length_b   6.54174100
_cell_length_c   9.21399500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl(CN2)2
_chemical_formula_sum   'Li4 Al4 C8 N16'
_cell_volume   330.23254272
_cell_formula_units_Z   4
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  0.75000000  0.87932000  0.50000000  1
  Li  Li1  1  0.25000000  0.62068000  0.00000000  1
  Li  Li2  1  0.25000000  0.12068000  0.50000000  1
  Li  Li3  1  0.75000000  0.37932000  0.00000000  1
  Al  Al4  1  0.75000000  0.37938100  0.50000000  1
  Al  Al5  1  0.25000000  0.12061900  0.00000000  1
  Al  Al6  1  0.25000000  0.62061900  0.50000000  1
  Al  Al7  1  0.75000000  0.87938100  0.00000000  1
  C  C8  1  0.58797400  0.13116400  0.75394300  1
  C  C9  1  0.08797400  0.36883600  0.74605700  1
  C  C10  1  0.41202600  0.36883600  0.25394300  1
  C  C11  1  0.91202600  0.13116400  0.24605700  1
  C  C12  1  0.41202600  0.86883600  0.24605700  1
  C  C13  1  0.91202600  0.63116400  0.25394300  1
  C  C14  1  0.58797400  0.63116400  0.74605700  1
  C  C15  1  0.08797400  0.86883600  0.75394300  1
  N  N16  1  0.61015800  0.15781800  0.62419400  1
  N  N17  1  0.11015800  0.34218200  0.87580600  1
  N  N18  1  0.38984200  0.34218200  0.12419400  1
  N  N19  1  0.88984200  0.15781800  0.37580600  1
  N  N20  1  0.38984200  0.84218200  0.37580600  1
  N  N21  1  0.88984200  0.65781800  0.12419400  1
  N  N22  1  0.61015800  0.65781800  0.87580600  1
  N  N23  1  0.11015800  0.84218200  0.62419400  1
  N  N24  1  0.56389300  0.09949600  0.88660700  1
  N  N25  1  0.06389300  0.40050400  0.61339300  1
  N  N26  1  0.43610700  0.40050400  0.38660700  1
  N  N27  1  0.93610700  0.09949600  0.11339300  1
  N  N28  1  0.43610700  0.90050400  0.11339300  1
  N  N29  1  0.93610700  0.59949600  0.38660700  1
  N  N30  1  0.56389300  0.59949600  0.61339300  1
  N  N31  1  0.06389300  0.90050400  0.88660700  1
