# generated using pymatgen
data_Hf2Th2TaSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30034793
_cell_length_b   7.30034793
_cell_length_c   13.50807345
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Th2TaSi4
_chemical_formula_sum   'Hf8 Th8 Ta4 Si16'
_cell_volume   719.91385341
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.15387407  0.99397894  0.37407818  1.0
  Hf  Hf1  1  0.84612593  0.00602106  0.87407818  1.0
  Hf  Hf2  1  0.50602106  0.65387407  0.62407818  1.0
  Hf  Hf3  1  0.34612593  0.49397894  0.87592182  1.0
  Hf  Hf4  1  0.49397894  0.34612593  0.12407818  1.0
  Hf  Hf5  1  0.65387407  0.50602106  0.37592182  1.0
  Hf  Hf6  1  0.99397894  0.15387407  0.62592182  1.0
  Hf  Hf7  1  0.00602106  0.84612593  0.12592182  1.0
  Th  Th8  1  0.99896842  0.34139570  0.21643097  1.0
  Th  Th9  1  0.00103158  0.65860430  0.71643097  1.0
  Th  Th10  1  0.15860430  0.49896842  0.46643097  1.0
  Th  Th11  1  0.50103158  0.84139570  0.03356903  1.0
  Th  Th12  1  0.84139570  0.50103158  0.96643097  1.0
  Th  Th13  1  0.49896842  0.15860430  0.53356903  1.0
  Th  Th14  1  0.34139570  0.99896842  0.78356903  1.0
  Th  Th15  1  0.65860430  0.00103158  0.28356903  1.0
  Ta  Ta16  1  0.17178594  0.17178594  0.00000000  1.0
  Ta  Ta17  1  0.82821406  0.82821406  0.50000000  1.0
  Ta  Ta18  1  0.32821406  0.67178594  0.25000000  1.0
  Ta  Ta19  1  0.67178594  0.32821406  0.75000000  1.0
  Si  Si20  1  0.29141258  0.04563082  0.18451443  1.0
  Si  Si21  1  0.70858742  0.95436918  0.68451443  1.0
  Si  Si22  1  0.45436918  0.79141258  0.43451443  1.0
  Si  Si23  1  0.20858742  0.54563082  0.06548557  1.0
  Si  Si24  1  0.54563082  0.20858742  0.93451443  1.0
  Si  Si25  1  0.79141258  0.45436918  0.56548557  1.0
  Si  Si26  1  0.04563082  0.29141258  0.81548557  1.0
  Si  Si27  1  0.95436918  0.70858742  0.31548557  1.0
  Si  Si28  1  0.36832083  0.29982059  0.31459441  1.0
  Si  Si29  1  0.63167917  0.70017941  0.81459441  1.0
  Si  Si30  1  0.20017941  0.86832083  0.56459441  1.0
  Si  Si31  1  0.13167917  0.79982059  0.93540559  1.0
  Si  Si32  1  0.79982059  0.13167917  0.06459441  1.0
  Si  Si33  1  0.86832083  0.20017941  0.43540559  1.0
  Si  Si34  1  0.29982059  0.36832083  0.68540559  1.0
  Si  Si35  1  0.70017941  0.63167917  0.18540559  1.0