# generated using pymatgen
data_Zr9Sc(HgBi3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91538404
_cell_length_b   8.91599122
_cell_length_c   6.02060136
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99774365
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr9Sc(HgBi3)2
_chemical_formula_sum   'Zr9 Sc1 Hg2 Bi6'
_cell_volume   414.46710274
_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
  Zr  Zr0  1  0.00026259  0.72238653  0.25000000  1.0
  Zr  Zr1  1  0.27787606  0.27761347  0.25000000  1.0
  Zr  Zr2  1  0.27873610  0.00000000  0.75000000  1.0
  Zr  Zr3  1  0.99930443  0.27711201  0.75000000  1.0
  Zr  Zr4  1  0.72219242  0.72288799  0.75000000  1.0
  Zr  Zr5  1  0.33158492  0.66468869  0.49996434  1.0
  Zr  Zr6  1  0.66689723  0.33531131  0.49996434  1.0
  Zr  Zr7  1  0.66689723  0.33531131  0.00003566  1.0
  Zr  Zr8  1  0.33158492  0.66468869  0.00003566  1.0
  Sc  Sc9  1  0.72410997  1.00000000  0.25000000  1.0
  Hg  Hg10  1  0.99942676  1.00000000  0.49897445  1.0
  Hg  Hg11  1  0.99942676  1.00000000  0.00102555  1.0
  Bi  Bi12  1  0.38482947  1.00000000  0.25000000  1.0
  Bi  Bi13  1  0.99829103  0.38063788  0.25000000  1.0
  Bi  Bi14  1  0.61765315  0.61936212  0.25000000  1.0
  Bi  Bi15  1  0.61832819  0.00000000  0.75000000  1.0
  Bi  Bi16  1  0.00008520  0.61757261  0.75000000  1.0
  Bi  Bi17  1  0.38251259  0.38242739  0.75000000  1.0