# generated using pymatgen
data_Sm2ThHg5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42754573
_cell_length_b   6.42780872
_cell_length_c   10.40594720
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.66906100
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2ThHg5
_chemical_formula_sum   'Sm4 Th2 Hg10'
_cell_volume   415.90860122
_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  0.60015734  0.59364214  0.25000000  1.0
  Sm  Sm1  1  0.40626287  0.39977115  0.75000000  1.0
  Sm  Sm2  1  0.79386318  0.20617056  0.50013249  1.0
  Sm  Sm3  1  0.79386318  0.20617056  0.99986751  1.0
  Th  Th4  1  0.20400420  0.79602742  0.50002293  1.0
  Th  Th5  1  0.20400420  0.79602742  0.99997707  1.0
  Hg  Hg6  1  0.98305751  0.98899603  0.25000000  1.0
  Hg  Hg7  1  0.01110805  0.01691468  0.75000000  1.0
  Hg  Hg8  1  0.30617247  0.30615763  0.03538318  1.0
  Hg  Hg9  1  0.69383685  0.69380076  0.96448251  1.0
  Hg  Hg10  1  0.30617247  0.30615763  0.46461682  1.0
  Hg  Hg11  1  0.69383685  0.69380076  0.53551749  1.0
  Hg  Hg12  1  0.47941350  0.05684613  0.25000000  1.0
  Hg  Hg13  1  0.94317539  0.52065365  0.75000000  1.0
  Hg  Hg14  1  0.52300725  0.94194882  0.75000000  1.0
  Hg  Hg15  1  0.05806471  0.47691466  0.25000000  1.0