# generated using pymatgen
data_SmTh2(AlCu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08317778
_cell_length_b   7.08317780
_cell_length_c   4.21097158
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.37502717
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTh2(AlCu)3
_chemical_formula_sum   'Sm1 Th2 Al3 Cu3'
_cell_volume   182.27016380
_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
  Sm  Sm0  1  0.41838345  0.41838345  0.50000000  1.0
  Th  Th1  1  0.57989843  0.00110018  0.50000000  1.0
  Th  Th2  1  0.00110018  0.57989843  0.50000000  1.0
  Al  Al3  1  0.23033038  0.00031096  0.00000000  1.0
  Al  Al4  1  0.00031096  0.23033038  0.00000000  1.0
  Al  Al5  1  0.76965001  0.76965001  0.00000000  1.0
  Cu  Cu6  1  0.00213814  0.00213814  0.50000000  1.0
  Cu  Cu7  1  0.33317876  0.66501169  0.00000000  1.0
  Cu  Cu8  1  0.66501169  0.33317876  0.00000000  1.0