# generated using pymatgen
data_LiTh4Si6Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21581858
_cell_length_b   8.21581690
_cell_length_c   8.51825219
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTh4Si6Pd
_chemical_formula_sum   'Li2 Th8 Si12 Pd2'
_cell_volume   497.94658582
_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
  Li  Li0  1  0.33333300  0.66666700  0.00124879  1.0
  Li  Li1  1  0.66666700  0.33333300  0.99875121  1.0
  Th  Th2  1  0.50014669  0.00029437  0.24520775  1.0
  Th  Th3  1  0.49985331  0.99970563  0.75479225  1.0
  Th  Th4  1  0.99970563  0.49985331  0.24520775  1.0
  Th  Th5  1  0.00029437  0.50014669  0.75479225  1.0
  Th  Th6  1  0.50014669  0.49985331  0.24520775  1.0
  Th  Th7  1  0.49985331  0.50014669  0.75479225  1.0
  Th  Th8  1  0.00000000  0.00000000  0.24875800  1.0
  Th  Th9  1  0.00000000  0.00000000  0.75124200  1.0
  Si  Si10  1  0.16762711  0.33525422  0.99985430  1.0
  Si  Si11  1  0.83237289  0.66474578  0.00014570  1.0
  Si  Si12  1  0.66474578  0.83237289  0.99985430  1.0
  Si  Si13  1  0.83465052  0.66930304  0.50058205  1.0
  Si  Si14  1  0.33525422  0.16762711  0.00014570  1.0
  Si  Si15  1  0.16534948  0.33069696  0.49941795  1.0
  Si  Si16  1  0.16762711  0.83237289  0.99985430  1.0
  Si  Si17  1  0.33069696  0.16534948  0.50058205  1.0
  Si  Si18  1  0.83237289  0.16762711  0.00014570  1.0
  Si  Si19  1  0.66930304  0.83465052  0.49941795  1.0
  Si  Si20  1  0.83465052  0.16534948  0.50058205  1.0
  Si  Si21  1  0.16534948  0.83465052  0.49941795  1.0
  Pd  Pd22  1  0.66666700  0.33333300  0.50005304  1.0
  Pd  Pd23  1  0.33333300  0.66666700  0.49994696  1.0