# generated using pymatgen
data_H6PbCBr3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05968000
_cell_length_b   6.03853100
_cell_length_c   6.12817881
_cell_angle_alpha   89.92820470
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H6PbCBr3N
_chemical_formula_sum   'H6 Pb1 C1 Br3 N1'
_cell_volume   224.23948050
_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  0.86210100  0.78174200  0.96819000  1.0
  H  H1  1  0.00000000  0.82221400  0.19863600  1.0
  H  H2  1  0.85194400  0.17490500  0.06161900  1.0
  H  H3  1  0.00000000  0.13065900  0.81171500  1.0
  H  H4  1  0.14805600  0.17490500  0.06161900  1.0
  H  H5  1  0.13789900  0.78174200  0.96819000  1.0
  Pb  Pb6  1  0.50000000  0.52473400  0.47799400  1.0
  C  C7  1  0.00000000  0.10268900  0.98852000  1.0
  Br  Br8  1  0.50000000  0.56997200  0.97274800  1.0
  Br  Br9  1  0.00000000  0.56514800  0.51270800  1.0
  Br  Br10  1  0.50000000  0.03346200  0.44073600  1.0
  N  N11  1  0.00000000  0.85939400  0.03246500  1.0