# generated using pymatgen
data_Sm2ThSn3Hg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56319011
_cell_length_b   6.56319071
_cell_length_c   10.21486391
_cell_angle_alpha   89.50564415
_cell_angle_beta   89.50564688
_cell_angle_gamma   103.51533223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2ThSn3Hg2
_chemical_formula_sum   'Sm4 Th2 Sn6 Hg4'
_cell_volume   427.78346831
_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  0.62863876  0.62863876  0.24723990  1.0
  Sm  Sm1  1  0.37136124  0.37136124  0.75276010  1.0
  Sm  Sm2  1  0.20415893  0.79584107  0.50000000  1.0
  Sm  Sm3  1  0.79584107  0.20415893  0.50000000  1.0
  Th  Th4  1  0.79981755  0.20018245  1.00000000  1.0
  Th  Th5  1  0.20018245  0.79981755  0.00000000  1.0
  Sn  Sn6  1  0.06812474  0.48945671  0.25223742  1.0
  Sn  Sn7  1  0.93187526  0.51054329  0.74776258  1.0
  Sn  Sn8  1  0.48945671  0.06812474  0.25223742  1.0
  Sn  Sn9  1  0.51054329  0.93187526  0.74776258  1.0
  Sn  Sn10  1  0.01652793  0.01652793  0.25392807  1.0
  Sn  Sn11  1  0.98347207  0.98347207  0.74607193  1.0
  Hg  Hg12  1  0.31289024  0.31289024  0.04372059  1.0
  Hg  Hg13  1  0.68710976  0.68710976  0.95627941  1.0
  Hg  Hg14  1  0.68880298  0.68880298  0.53811259  1.0
  Hg  Hg15  1  0.31119702  0.31119702  0.46188741  1.0