# generated using pymatgen
data_Sc4AsI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05997526
_cell_length_b   13.41408545
_cell_length_c   14.05640783
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4AsI6
_chemical_formula_sum   'Sc8 As2 I12'
_cell_volume   765.52398944
_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
  Sc  Sc0  1  0.00000000  0.10252055  0.07891761  1.0
  Sc  Sc1  1  0.00000000  0.89747945  0.92108239  1.0
  Sc  Sc2  1  0.00000000  0.60252055  0.42108239  1.0
  Sc  Sc3  1  0.00000000  0.39747945  0.57891761  1.0
  Sc  Sc4  1  0.50000000  0.12196685  0.85533785  1.0
  Sc  Sc5  1  0.50000000  0.87803315  0.14466215  1.0
  Sc  Sc6  1  0.50000000  0.62196685  0.64466215  1.0
  Sc  Sc7  1  0.50000000  0.37803315  0.35533785  1.0
  As  As8  1  0.50000000  0.00000000  0.00000000  1.0
  As  As9  1  0.50000000  0.50000000  0.50000000  1.0
  I  I10  1  0.50000000  0.26481284  0.67627022  1.0
  I  I11  1  0.50000000  0.73518716  0.32372978  1.0
  I  I12  1  0.50000000  0.76481284  0.82372978  1.0
  I  I13  1  0.50000000  0.23518716  0.17627022  1.0
  I  I14  1  0.00000000  0.25954577  0.92915883  1.0
  I  I15  1  0.00000000  0.74045423  0.07084117  1.0
  I  I16  1  0.00000000  0.48394114  0.24271350  1.0
  I  I17  1  0.00000000  0.51605886  0.75728650  1.0
  I  I18  1  0.00000000  0.98394114  0.25728650  1.0
  I  I19  1  0.00000000  0.01605886  0.74271350  1.0
  I  I20  1  0.00000000  0.24045423  0.42915883  1.0
  I  I21  1  0.00000000  0.75954577  0.57084117  1.0