# generated using pymatgen
data_LiTh4Si6Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22147067
_cell_length_b   8.13198036
_cell_length_c   5.87698622
_cell_angle_alpha   69.75475508
_cell_angle_beta   68.12631799
_cell_angle_gamma   42.11891476
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTh4Si6Ni
_chemical_formula_sum   'Li1 Th4 Si6 Ni1'
_cell_volume   243.00886261
_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
  Li  Li0  1  0.33461330  0.33461330  0.66538670  1.0
  Th  Th1  1  0.74776878  0.74776878  0.75223122  1.0
  Th  Th2  1  0.75776452  0.24648199  0.75351801  1.0
  Th  Th3  1  0.24776878  0.24776878  0.25223122  1.0
  Th  Th4  1  0.24648199  0.75776452  0.24223548  1.0
  Si  Si5  1  0.82580239  0.34586889  0.17419761  1.0
  Si  Si6  1  0.66653208  0.16668074  0.33346792  1.0
  Si  Si7  1  0.16668074  0.66653208  0.83331926  1.0
  Si  Si8  1  0.34586889  0.82580239  0.65413111  1.0
  Si  Si9  1  0.16768232  0.16768232  0.83231768  1.0
  Si  Si10  1  0.82686846  0.82686846  0.17313154  1.0
  Ni  Ni11  1  0.66616476  0.66616476  0.33383524  1.0