# generated using pymatgen
data_SrHfTh2Sb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.53340386
_cell_length_b   9.65267794
_cell_length_c   6.36334041
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.59207557
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfTh2Sb5
_chemical_formula_sum   'Sr2 Hf2 Th4 Sb10'
_cell_volume   509.19265993
_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
  Sr  Sr0  1  0.61205996  0.00000000  0.25000000  1.0
  Sr  Sr1  1  0.38794004  1.00000000  0.75000000  1.0
  Hf  Hf2  1  0.00000000  0.00000000  0.00000000  1.0
  Hf  Hf3  1  0.00000000  0.00000000  0.50000000  1.0
  Th  Th4  1  0.00966027  0.62552666  0.25000000  1.0
  Th  Th5  1  0.99033973  0.37447334  0.75000000  1.0
  Th  Th6  1  0.38413462  0.37447334  0.25000000  1.0
  Th  Th7  1  0.61586538  0.62552666  0.75000000  1.0
  Sb  Sb8  1  0.25635784  0.00000000  0.25000000  1.0
  Sb  Sb9  1  0.74364216  1.00000000  0.75000000  1.0
  Sb  Sb10  1  0.00452546  0.26300733  0.25000000  1.0
  Sb  Sb11  1  0.99547454  0.73699267  0.75000000  1.0
  Sb  Sb12  1  0.74151812  0.73699267  0.25000000  1.0
  Sb  Sb13  1  0.25848188  0.26300733  0.75000000  1.0
  Sb  Sb14  1  0.32414401  0.64828702  0.00000000  1.0
  Sb  Sb15  1  0.67585599  0.35171298  0.00000000  1.0
  Sb  Sb16  1  0.67585599  0.35171298  0.50000000  1.0
  Sb  Sb17  1  0.32414401  0.64828702  0.50000000  1.0