# generated using pymatgen
data_H6PbCI3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43839300
_cell_length_b   6.43672400
_cell_length_c   6.49206998
_cell_angle_alpha   89.58053777
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H6PbCI3N
_chemical_formula_sum   'H6 Pb1 C1 I3 N1'
_cell_volume   269.03818458
_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
  H  H0  1  0.86105600  0.15909300  0.06887700  1.0
  H  H1  1  0.00000000  0.13236300  0.83177200  1.0
  H  H2  1  0.13042900  0.79600300  0.96098500  1.0
  H  H3  1  0.00000000  0.82118600  0.17980900  1.0
  H  H4  1  0.86957100  0.79600300  0.96098500  1.0
  H  H5  1  0.13894400  0.15909300  0.06887700  1.0
  Pb  Pb6  1  0.50000000  0.52476100  0.47577900  1.0
  C  C7  1  0.00000000  0.09538700  0.99651500  1.0
  I  I8  1  0.50000000  0.57176100  0.97243600  1.0
  I  I9  1  0.50000000  0.03836300  0.44899400  1.0
  I  I10  1  0.00000000  0.56285300  0.50578400  1.0
  N  N11  1  0.00000000  0.86512800  0.02488800  1.0