# generated using pymatgen
data_SmThHgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05295568
_cell_length_b   8.05295600
_cell_length_c   3.84880736
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.47882395
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmThHgAu2
_chemical_formula_sum   'Sm2 Th2 Hg2 Au4'
_cell_volume   249.58681725
_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  0.17364643  0.32635357  0.50000000  1.0
  Sm  Sm1  1  0.82635357  0.67364643  0.50000000  1.0
  Th  Th2  1  0.67547930  0.17547930  0.50000000  1.0
  Th  Th3  1  0.32452070  0.82452070  0.50000000  1.0
  Hg  Hg4  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg5  1  0.50000000  0.50000000  0.00000000  1.0
  Au  Au6  1  0.12590904  0.62590904  0.00000000  1.0
  Au  Au7  1  0.87409096  0.37409096  0.00000000  1.0
  Au  Au8  1  0.62670375  0.87329625  0.00000000  1.0
  Au  Au9  1  0.37329625  0.12670375  0.00000000  1.0