# generated using pymatgen
data_Zr3HgO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00484446
_cell_length_b   6.00484397
_cell_length_c   9.18650767
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.87663546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3HgO
_chemical_formula_sum   'Zr6 Hg2 O2'
_cell_volume   181.00860373
_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  0.62520577  0.37479423  0.96322757  1.0
  Zr  Zr1  1  0.37479423  0.62520577  0.46322757  1.0
  Zr  Zr2  1  0.37479423  0.62520577  0.03677243  1.0
  Zr  Zr3  1  0.62520577  0.37479423  0.53677243  1.0
  Zr  Zr4  1  0.95915763  0.04084237  0.75000000  1.0
  Zr  Zr5  1  0.04084237  0.95915763  0.25000000  1.0
  Hg  Hg6  1  0.24674054  0.75325946  0.75000000  1.0
  Hg  Hg7  1  0.75325946  0.24674054  0.25000000  1.0
  O  O8  1  0.00000000  0.00000000  0.00000000  1.0
  O  O9  1  0.00000000  0.00000000  0.50000000  1.0