# generated using pymatgen
data_ScIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46819860
_cell_length_b   4.45889366
_cell_length_c   7.18476390
_cell_angle_alpha   90.00000000
_cell_angle_beta   108.11646149
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScIn2
_chemical_formula_sum   'Sc2 In4'
_cell_volume   136.04750775
_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  0.84357228  0.50000000  0.68714356  1.0
  Sc  Sc1  1  0.15642772  0.50000000  0.31285644  1.0
  In  In2  1  0.67607848  0.00000000  0.35215695  1.0
  In  In3  1  0.32392152  0.00000000  0.64784305  1.0
  In  In4  1  0.50000000  0.50000000  0.00000000  1.0
  In  In5  1  0.00000000  0.00000000  0.00000000  1.0