# generated using pymatgen
data_HgH2NCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49075600
_cell_length_b   5.10416000
_cell_length_c   6.81105300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgH2NCl
_chemical_formula_sum   'Hg2 H4 N2 Cl2'
_cell_volume   156.11980434
_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
  Hg  Hg0  1  0.00000000  0.00000000  0.50000000  1.0
  Hg  Hg1  1  0.00000000  0.00000000  0.00000000  1.0
  H  H2  1  0.81618000  0.36922400  0.25000000  1.0
  H  H3  1  0.81618000  0.63077600  0.75000000  1.0
  H  H4  1  0.18382000  0.63077600  0.75000000  1.0
  H  H5  1  0.18382000  0.36922400  0.25000000  1.0
  N  N6  1  0.00000000  0.24765800  0.25000000  1.0
  N  N7  1  0.00000000  0.75234200  0.75000000  1.0
  Cl  Cl8  1  0.50000000  0.72388200  0.25000000  1.0
  Cl  Cl9  1  0.50000000  0.27611800  0.75000000  1.0