# generated using pymatgen
data_La4SiI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47050704
_cell_length_b   14.66429125
_cell_length_c   15.51766979
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4SiI6
_chemical_formula_sum   'La8 Si2 I12'
_cell_volume   1017.28904206
_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
  La  La0  1  0.50000000  0.11605530  0.34507845  1.0
  La  La1  1  0.50000000  0.88394470  0.65492155  1.0
  La  La2  1  0.50000000  0.61605530  0.15492155  1.0
  La  La3  1  0.50000000  0.38394470  0.84507845  1.0
  La  La4  1  0.00000000  0.11372639  0.57618793  1.0
  La  La5  1  0.00000000  0.88627361  0.42381207  1.0
  La  La6  1  0.00000000  0.61372639  0.92381207  1.0
  La  La7  1  0.00000000  0.38627361  0.07618793  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  0.24612666  0.16506094  1.0
  I  I11  1  0.50000000  0.75387334  0.83493906  1.0
  I  I12  1  0.50000000  0.74612666  0.33493906  1.0
  I  I13  1  0.50000000  0.25387334  0.66506094  1.0
  I  I14  1  0.00000000  0.25926415  0.41513205  1.0
  I  I15  1  0.00000000  0.74073585  0.58486795  1.0
  I  I16  1  0.00000000  0.75926415  0.08486795  1.0
  I  I17  1  0.00000000  0.24073585  0.91513205  1.0
  I  I18  1  0.00000000  0.99854853  0.24053219  1.0
  I  I19  1  0.00000000  0.00145147  0.75946781  1.0
  I  I20  1  0.00000000  0.49854853  0.25946781  1.0
  I  I21  1  0.00000000  0.50145147  0.74053219  1.0