# generated using pymatgen
data_LiHf(Pa3Sb5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29137966
_cell_length_b   9.29137946
_cell_length_c   6.18740936
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf(Pa3Sb5)2
_chemical_formula_sum   'Li1 Hf1 Pa6 Sb10'
_cell_volume   462.59386231
_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  0.00000000  0.00000000  0.50000000  1.0
  Hf  Hf1  1  0.00000000  0.00000000  0.00000000  1.0
  Pa  Pa2  1  0.38639523  0.00000000  0.75050312  1.0
  Pa  Pa3  1  0.38639523  0.38639523  0.24949688  1.0
  Pa  Pa4  1  1.00000000  0.61360477  0.24949688  1.0
  Pa  Pa5  1  0.00000000  0.38639523  0.75050312  1.0
  Pa  Pa6  1  0.61360477  0.61360477  0.75050312  1.0
  Pa  Pa7  1  0.61360477  1.00000000  0.24949688  1.0
  Sb  Sb8  1  0.33333300  0.66666700  0.50000000  1.0
  Sb  Sb9  1  0.66666700  0.33333300  0.00000000  1.0
  Sb  Sb10  1  0.66666700  0.33333300  0.50000000  1.0
  Sb  Sb11  1  0.33333300  0.66666700  0.00000000  1.0
  Sb  Sb12  1  0.73640311  1.00000000  0.74625016  1.0
  Sb  Sb13  1  0.73640311  0.73640311  0.25374984  1.0
  Sb  Sb14  1  0.00000000  0.26359689  0.25374984  1.0
  Sb  Sb15  1  1.00000000  0.73640311  0.74625016  1.0
  Sb  Sb16  1  0.26359689  0.00000000  0.25374984  1.0
  Sb  Sb17  1  0.26359689  0.26359689  0.74625016  1.0