# generated using pymatgen
data_Sc4TcI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.22872278
_cell_length_b   11.22872083
_cell_length_c   5.82616757
_cell_angle_alpha   90.08434100
_cell_angle_beta   90.08433450
_cell_angle_gamma   89.85608225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4TcI4
_chemical_formula_sum   'Sc8 Tc2 I8'
_cell_volume   734.58373432
_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  0.81388727  0.07765933  0.00098253  1.0
  Sc  Sc1  1  0.07765933  0.81388727  0.50098253  1.0
  Sc  Sc2  1  0.07739904  0.18596290  0.99834574  1.0
  Sc  Sc3  1  0.18596290  0.07739904  0.49834574  1.0
  Sc  Sc4  1  0.92260096  0.81403710  0.00165426  1.0
  Sc  Sc5  1  0.92234067  0.18611273  0.49901747  1.0
  Sc  Sc6  1  0.18611273  0.92234067  0.99901747  1.0
  Sc  Sc7  1  0.81403710  0.92260096  0.50165426  1.0
  Tc  Tc8  1  0.00005515  0.99994485  0.25000000  1.0
  Tc  Tc9  1  0.99994485  0.00005515  0.75000000  1.0
  I  I10  1  0.65750630  0.14073567  0.49356987  1.0
  I  I11  1  0.86017528  0.65756294  0.48990795  1.0
  I  I12  1  0.34243706  0.13982472  0.01009205  1.0
  I  I13  1  0.13982472  0.34243706  0.51009205  1.0
  I  I14  1  0.65756294  0.86017528  0.98990795  1.0
  I  I15  1  0.34249370  0.85926433  0.50643013  1.0
  I  I16  1  0.14073567  0.65750630  0.99356987  1.0
  I  I17  1  0.85926433  0.34249370  0.00643013  1.0