# generated using pymatgen
data_Zr5HgBi2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61365862
_cell_length_b   8.61365895
_cell_length_c   5.87110219
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.55036742
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5HgBi2B
_chemical_formula_sum   'Zr10 Hg2 Bi4 B2'
_cell_volume   378.94442444
_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
  Zr  Zr0  1  0.66961087  0.33114215  0.00416193  1.0
  Zr  Zr1  1  0.33114215  0.66961087  0.00416193  1.0
  Zr  Zr2  1  0.33114215  0.66961087  0.49583807  1.0
  Zr  Zr3  1  0.66961087  0.33114215  0.49583807  1.0
  Zr  Zr4  1  0.77517168  0.77517168  0.75000000  1.0
  Zr  Zr5  1  0.22155861  0.99708511  0.75000000  1.0
  Zr  Zr6  1  0.99708511  0.22155861  0.75000000  1.0
  Zr  Zr7  1  0.22134532  0.22134532  0.25000000  1.0
  Zr  Zr8  1  0.77476688  0.00602120  0.25000000  1.0
  Zr  Zr9  1  0.00602120  0.77476688  0.25000000  1.0
  Hg  Hg10  1  0.39782411  0.00355054  0.25000000  1.0
  Hg  Hg11  1  0.00355054  0.39782411  0.25000000  1.0
  Bi  Bi12  1  0.39696396  0.39696396  0.75000000  1.0
  Bi  Bi13  1  0.59805726  0.99984079  0.75000000  1.0
  Bi  Bi14  1  0.99984079  0.59805726  0.75000000  1.0
  Bi  Bi15  1  0.60621145  0.60621145  0.25000000  1.0
  B  B16  1  0.00004751  0.00004751  0.00232849  1.0
  B  B17  1  0.00004751  0.00004751  0.49767151  1.0