# generated using pymatgen
data_Li3YCl6
_symmetry_space_group_name_H-M   C2
_cell_length_a   19.43534211
_cell_length_b   11.22100000
_cell_length_c   6.05870000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   5
_chemical_formula_structural   Li3YCl6
_chemical_formula_sum   'Li18 Y6 Cl36'
_cell_volume   1321.30537228
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y, -z'
  3  'x+1/2, y+1/2, z'
  4  '-x+1/2, y+1/2, -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  4  0.14420000  0.14420000  0.50000000  1
  Li  Li1  4  0.16985000  0.16985000  -0.00000000  1
  Li  Li2  4  0.16985000  0.83015000  -0.00000000  1
  Li  Li3  2  0.00000000  0.28840000  0.50000000  1
  Li  Li4  2  0.00000000  0.33970000  0.00000000  1
  Li  Li5  2  0.00000000  0.66030000  0.00000000  1
  Y  Y6  4  0.16665000  0.49995000  0.51000000  1
  Y  Y7  2  0.00000000  0.00000000  0.00000000  1
  Cl  Cl8  4  0.05460000  0.50000000  0.75590000  1
  Cl  Cl9  4  0.05675000  0.17025000  0.76810000  1
  Cl  Cl10  4  0.05675000  0.82975000  0.76810000  1
  Cl  Cl11  4  0.11075000  0.33225000  0.26760000  1
  Cl  Cl12  4  0.11075000  0.66775000  0.26760000  1
  Cl  Cl13  4  0.11350000  0.00000000  0.23190000  1
  Cl  Cl14  4  0.22150000  0.00000000  0.73240000  1
  Cl  Cl15  4  0.22270000  0.66810000  0.75590000  1
  Cl  Cl16  4  0.22270000  0.33190000  0.75590000  1
