# generated using pymatgen
data_SmTh2In5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56128685
_cell_length_b   6.56128734
_cell_length_c   10.41749888
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.85996836
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTh2In5
_chemical_formula_sum   'Sm2 Th4 In10'
_cell_volume   438.90466339
_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
  Sm  Sm0  1  0.63454360  0.63454360  0.25000000  1.0
  Sm  Sm1  1  0.36545640  0.36545640  0.75000000  1.0
  Th  Th2  1  0.20387325  0.79612675  0.50000000  1.0
  Th  Th3  1  0.20387325  0.79612675  0.00000000  1.0
  Th  Th4  1  0.79612675  0.20387325  0.50000000  1.0
  Th  Th5  1  0.79612675  0.20387325  0.00000000  1.0
  In  In6  1  0.01552618  0.01552618  0.25000000  1.0
  In  In7  1  0.98447382  0.98447382  0.75000000  1.0
  In  In8  1  0.31412227  0.31412227  0.04724068  1.0
  In  In9  1  0.68587773  0.68587773  0.95275932  1.0
  In  In10  1  0.31412227  0.31412227  0.45275932  1.0
  In  In11  1  0.68587773  0.68587773  0.54724068  1.0
  In  In12  1  0.49393895  0.07667065  0.25000000  1.0
  In  In13  1  0.92332935  0.50606105  0.75000000  1.0
  In  In14  1  0.50606105  0.92332935  0.75000000  1.0
  In  In15  1  0.07667065  0.49393895  0.25000000  1.0