# generated using pymatgen
data_Ge12As11I4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.15569308
_cell_length_b   11.15569308
_cell_length_c   11.15569308
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge12As11I4
_chemical_formula_sum   'Ge24 As22 I8'
_cell_volume   1388.32029315
_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
  Ge  Ge0  1  -0.00000000  0.11840854  0.31039739  1.0
  Ge  Ge1  1  -0.00000000  0.88159146  0.68960261  1.0
  Ge  Ge2  1  -0.00000000  0.88159146  0.31039739  1.0
  Ge  Ge3  1  -0.00000000  0.11840854  0.68960261  1.0
  Ge  Ge4  1  0.31039739  0.00000000  0.11840854  1.0
  Ge  Ge5  1  0.61840854  0.50000000  0.18960261  1.0
  Ge  Ge6  1  0.68960261  -0.00000000  0.88159146  1.0
  Ge  Ge7  1  0.38159146  0.50000000  0.81039739  1.0
  Ge  Ge8  1  0.31039739  0.00000000  0.88159146  1.0
  Ge  Ge9  1  0.38159146  0.50000000  0.18960261  1.0
  Ge  Ge10  1  0.68960261  -0.00000000  0.11840854  1.0
  Ge  Ge11  1  0.61840854  0.50000000  0.81039739  1.0
  Ge  Ge12  1  0.11840854  0.31039739  0.00000000  1.0
  Ge  Ge13  1  0.50000000  0.81039739  0.38159146  1.0
  Ge  Ge14  1  0.88159146  0.68960261  0.00000000  1.0
  Ge  Ge15  1  0.50000000  0.18960261  0.61840854  1.0
  Ge  Ge16  1  0.11840854  0.68960261  0.00000000  1.0
  Ge  Ge17  1  0.50000000  0.18960261  0.38159146  1.0
  Ge  Ge18  1  0.88159146  0.31039739  0.00000000  1.0
  Ge  Ge19  1  0.50000000  0.81039739  0.61840854  1.0
  Ge  Ge20  1  0.18960261  0.61840854  0.50000000  1.0
  Ge  Ge21  1  0.81039739  0.38159146  0.50000000  1.0
  Ge  Ge22  1  0.18960261  0.38159146  0.50000000  1.0
  Ge  Ge23  1  0.81039739  0.61840854  0.50000000  1.0
  As  As24  1  0.18558222  0.18558222  0.18558222  1.0
  As  As25  1  0.81441778  0.81441778  0.81441778  1.0
  As  As26  1  0.81441778  0.81441778  0.18558222  1.0
  As  As27  1  0.81441778  0.18558222  0.81441778  1.0
  As  As28  1  0.68558222  0.68558222  0.31441778  1.0
  As  As29  1  0.18558222  0.18558222  0.81441778  1.0
  As  As30  1  0.18558222  0.81441778  0.18558222  1.0
  As  As31  1  0.31441778  0.31441778  0.68558222  1.0
  As  As32  1  0.18558222  0.81441778  0.81441778  1.0
  As  As33  1  0.31441778  0.31441778  0.31441778  1.0
  As  As34  1  0.81441778  0.18558222  0.18558222  1.0
  As  As35  1  0.68558222  0.68558222  0.68558222  1.0
  As  As36  1  0.68558222  0.31441778  0.68558222  1.0
  As  As37  1  0.31441778  0.68558222  0.31441778  1.0
  As  As38  1  0.31441778  0.68558222  0.68558222  1.0
  As  As39  1  0.68558222  0.31441778  0.31441778  1.0
  As  As40  1  0.25000000  0.50000000  0.00000000  1.0
  As  As41  1  0.75000000  0.50000000  0.00000000  1.0
  As  As42  1  -0.00000000  0.25000000  0.50000000  1.0
  As  As43  1  -0.00000000  0.75000000  0.50000000  1.0
  As  As44  1  0.50000000  -0.00000000  0.25000000  1.0
  As  As45  1  0.50000000  -0.00000000  0.75000000  1.0
  I  I46  1  0.25000000  -0.00000000  0.50000000  1.0
  I  I47  1  0.75000000  -0.00000000  0.50000000  1.0
  I  I48  1  0.50000000  0.25000000  0.00000000  1.0
  I  I49  1  0.50000000  0.75000000  0.00000000  1.0
  I  I50  1  -0.00000000  0.50000000  0.25000000  1.0
  I  I51  1  -0.00000000  0.50000000  0.75000000  1.0
  I  I52  1  -0.00000000  -0.00000000  0.00000000  1.0
  I  I53  1  0.50000000  0.50000000  0.50000000  1.0