# generated using pymatgen
data_Li3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49809217
_cell_length_b   7.49858807
_cell_length_c   7.46513663
_cell_angle_alpha   90.00406362
_cell_angle_beta   89.99702556
_cell_angle_gamma   119.99029188
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3As
_chemical_formula_sum   'Li18 As6'
_cell_volume   363.53073851
_cell_formula_units_Z   6
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  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Li  Li2  1  0.33348505  0.66678567  0.71269374  1
  Li  Li3  1  0.33327693  0.66661050  0.21265897  1
  Li  Li4  1  0.66651495  0.33321433  0.28730626  1
  Li  Li5  1  0.66672307  0.33338950  0.78734103  1
  Li  Li6  1  0.35425285  0.33029968  0.58820466  1
  Li  Li7  1  0.66949298  0.02369013  0.58838650  1
  Li  Li8  1  0.97617440  0.64580437  0.58821768  1
  Li  Li9  1  0.35420758  0.02386114  0.08823535  1
  Li  Li10  1  0.97625648  0.33048419  0.08836615  1
  Li  Li11  1  0.66977198  0.64574312  0.08811952  1
  Li  Li12  1  0.64574715  0.66970032  0.41179534  1
  Li  Li13  1  0.33050702  0.97630987  0.41161350  1
  Li  Li14  1  0.02382560  0.35419563  0.41178232  1
  Li  Li15  1  0.64579242  0.97613886  0.91176465  1
  Li  Li16  1  0.02374352  0.66951581  0.91163385  1
  Li  Li17  1  0.33022802  0.35425688  0.91188048  1
  As  As18  1  0.67538302  0.67537128  0.74999823  1
  As  As19  1  0.32461916  0.00000648  0.74997903  1
  As  As20  1  0.00000378  0.32462991  0.74996248  1
  As  As21  1  0.67538084  0.99999352  0.25002097  1
  As  As22  1  -0.00000378  0.67537009  0.25003752  1
  As  As23  1  0.32461698  0.32462872  0.25000177  1
