# generated using pymatgen
data_Th4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16946726
_cell_length_b   8.16946743
_cell_length_c   8.32085775
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.33122849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Si7
_chemical_formula_sum   'Th8 Si14'
_cell_volume   479.32157632
_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
  Th  Th0  1  0.25643928  0.25643928  0.00000000  1.0
  Th  Th1  1  0.74356072  0.74356072  0.00000000  1.0
  Th  Th2  1  0.74356072  0.74356072  0.50000000  1.0
  Th  Th3  1  0.25643928  0.25643928  0.50000000  1.0
  Th  Th4  1  0.25156743  0.74843257  0.49859468  1.0
  Th  Th5  1  0.74843257  0.25156743  0.50140532  1.0
  Th  Th6  1  0.74843257  0.25156743  0.99859468  1.0
  Th  Th7  1  0.25156743  0.74843257  0.00140532  1.0
  Si  Si8  1  0.07499108  0.40008155  0.25000000  1.0
  Si  Si9  1  0.92500892  0.59991845  0.75000000  1.0
  Si  Si10  1  0.58192132  0.41807868  0.25000000  1.0
  Si  Si11  1  0.41807868  0.58192132  0.75000000  1.0
  Si  Si12  1  0.41441499  0.58558501  0.25000000  1.0
  Si  Si13  1  0.58558501  0.41441499  0.75000000  1.0
  Si  Si14  1  0.07871949  0.92128051  0.25000000  1.0
  Si  Si15  1  0.92128051  0.07871949  0.75000000  1.0
  Si  Si16  1  0.59991845  0.92500892  0.25000000  1.0
  Si  Si17  1  0.40008155  0.07499108  0.75000000  1.0
  Si  Si18  1  0.91718393  0.58044688  0.25000000  1.0
  Si  Si19  1  0.08281607  0.41955312  0.75000000  1.0
  Si  Si20  1  0.41955312  0.08281607  0.25000000  1.0
  Si  Si21  1  0.58044688  0.91718393  0.75000000  1.0