# generated using pymatgen
data_NaScIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.05721440
_cell_length_b   12.56972188
_cell_length_c   12.56972223
_cell_angle_alpha   60.11246425
_cell_angle_beta   61.38790623
_cell_angle_gamma   61.38791005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScIn2
_chemical_formula_sum   'Na1 Sc1 In2'
_cell_volume   1375.83026501
_cell_formula_units_Z   1
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
  Na  Na0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Sc  Sc1  1  0.50000000  0.00000000  -0.00000000  1.0
  In  In2  1  0.74235239  0.00001044  0.00001044  1.0
  In  In3  1  0.25764761  0.99998956  0.99998956  1.0