# generated using pymatgen
data_Y4SiI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23093388
_cell_length_b   14.06264668
_cell_length_c   14.69825776
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4SiI6
_chemical_formula_sum   'Y8 Si2 I12'
_cell_volume   874.51882545
_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
  Y  Y0  1  0.50000000  0.11809946  0.35002229  1.0
  Y  Y1  1  0.50000000  0.88190054  0.64997771  1.0
  Y  Y2  1  0.50000000  0.61809946  0.14997771  1.0
  Y  Y3  1  0.50000000  0.38190054  0.85002229  1.0
  Y  Y4  1  0.00000000  0.10742400  0.57748346  1.0
  Y  Y5  1  0.00000000  0.89257600  0.42251654  1.0
  Y  Y6  1  0.00000000  0.60742400  0.92251654  1.0
  Y  Y7  1  0.00000000  0.39257600  0.07748346  1.0
  Si  Si8  1  0.50000000  0.00000000  0.50000000  1.0
  Si  Si9  1  0.50000000  0.50000000  0.00000000  1.0
  I  I10  1  0.50000000  0.25504566  0.17041385  1.0
  I  I11  1  0.50000000  0.74495434  0.82958615  1.0
  I  I12  1  0.50000000  0.75504566  0.32958615  1.0
  I  I13  1  0.50000000  0.24495434  0.67041385  1.0
  I  I14  1  0.00000000  0.25982610  0.42132248  1.0
  I  I15  1  0.00000000  0.74017390  0.57867752  1.0
  I  I16  1  0.00000000  0.75982610  0.07867752  1.0
  I  I17  1  0.00000000  0.24017390  0.92132248  1.0
  I  I18  1  0.00000000  0.00698732  0.23905169  1.0
  I  I19  1  0.00000000  0.99301268  0.76094831  1.0
  I  I20  1  0.00000000  0.50698732  0.26094831  1.0
  I  I21  1  0.00000000  0.49301268  0.73905169  1.0