# generated using pymatgen
data_Sc3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40658579
_cell_length_b   6.40658484
_cell_length_c   5.22519347
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000486
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3In
_chemical_formula_sum   'Sc6 In2'
_cell_volume   185.73177688
_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  0.83081911  0.16918089  0.25000000  1.0
  Sc  Sc1  1  0.66163822  0.83081911  0.75000000  1.0
  Sc  Sc2  1  0.16918089  0.33836178  0.75000000  1.0
  Sc  Sc3  1  0.83081911  0.66163822  0.25000000  1.0
  Sc  Sc4  1  0.33836178  0.16918089  0.25000000  1.0
  Sc  Sc5  1  0.16918089  0.83081911  0.75000000  1.0
  In  In6  1  0.33333300  0.66666700  0.25000000  1.0
  In  In7  1  0.66666700  0.33333300  0.75000000  1.0