# generated using pymatgen
data_Cs3LiI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.23911682
_cell_length_b   5.20065995
_cell_length_c   17.27717295
_cell_angle_alpha   81.79127750
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs3LiI4
_chemical_formula_sum   'Cs6 Li2 I8'
_cell_volume   821.65420963
_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
  Cs  Cs0  1  0.75000000  0.62112253  0.73917773  1
  Cs  Cs1  1  0.75000000  0.28550613  0.45619378  1
  Cs  Cs2  1  -0.00000000  0.50000000  -0.00000000  1
  Cs  Cs3  1  0.25000000  0.37887747  0.26082227  1
  Cs  Cs4  1  0.25000000  0.71449387  0.54380622  1
  Cs  Cs5  1  0.50000000  0.50000000  -0.00000000  1
  Li  Li6  1  0.25000000  0.12270558  0.74037757  1
  Li  Li7  1  0.75000000  0.87729442  0.25962243  1
  I  I8  1  0.75000000  0.04456897  0.90622363  1
  I  I9  1  0.00490003  0.16819547  0.63918829  1
  I  I10  1  0.75000000  0.41222623  0.18806589  1
  I  I11  1  0.99509997  0.83180453  0.36081171  1
  I  I12  1  0.49509997  0.16819547  0.63918829  1
  I  I13  1  0.50490003  0.83180453  0.36081171  1
  I  I14  1  0.25000000  0.95543103  0.09377637  1
  I  I15  1  0.25000000  0.58777377  0.81193411  1
