# generated using pymatgen
data_Er9Th(Sn3Ge)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14629821
_cell_length_b   9.14804992
_cell_length_c   6.47523203
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99365884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er9Th(Sn3Ge)2
_chemical_formula_sum   'Er9 Th1 Sn6 Ge2'
_cell_volume   469.23197276
_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
  Er  Er0  1  0.99852665  0.74046114  0.75000000  1.0
  Er  Er1  1  0.25806550  0.25953886  0.75000000  1.0
  Er  Er2  1  0.33449013  0.66700599  0.50134742  1.0
  Er  Er3  1  0.66748514  0.33299401  0.50134742  1.0
  Er  Er4  1  0.75335301  0.75122250  0.25000000  1.0
  Er  Er5  1  0.73712387  1.00000000  0.75000000  1.0
  Er  Er6  1  0.00213051  0.24877750  0.25000000  1.0
  Er  Er7  1  0.33449013  0.66700599  0.99865258  1.0
  Er  Er8  1  0.66748514  0.33299401  0.99865258  1.0
  Th  Th9  1  0.24945632  0.00000000  0.25000000  1.0
  Sn  Sn10  1  0.60802189  0.60733336  0.75000000  1.0
  Sn  Sn11  1  0.00068953  0.39266664  0.75000000  1.0
  Sn  Sn12  1  0.39002728  0.00000000  0.75000000  1.0
  Sn  Sn13  1  0.61102048  1.00000000  0.25000000  1.0
  Sn  Sn14  1  0.39947974  0.40232555  0.25000000  1.0
  Sn  Sn15  1  0.99715419  0.59767445  0.25000000  1.0
  Ge  Ge16  1  0.99549925  1.00000000  0.97978554  1.0
  Ge  Ge17  1  0.99549925  1.00000000  0.52021446  1.0