data_image0
_chemical_formula_structural       PbBr2ClNH3CH3
_chemical_formula_sum              "Pb1 Br2 Cl1 N1 H6 C1"
_cell_length_a       5.975716835311959
_cell_length_b       5.975716835311963
_cell_length_c       5.6725609079310395
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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
  Pb  Pb1       1.0  0.9836321302380051  0.9836321302380052  0.9804057648278286  1.0000
  Br  Br1       1.0  0.49030774305567365  0.000373597881975751  0.9859032971917248  1.0000
  Br  Br2       1.0  0.000373597881975877  0.4903077430556801  0.9859032971917248  1.0000
  Cl  Cl1       1.0  0.014530042034594275  0.014530042034594298  0.4888801454299642  1.0000
  N   N1        1.0  0.38547725335135535  0.3854772533513538  0.3906679181181023  1.0000
  H   H1        1.0  0.2777010820435622  0.4741163128414242  0.279007332627475  1.0000
  H   H2        1.0  0.28077385766653395  0.28077385766653434  0.4891692288062178  1.0000
  H   H3        1.0  0.4741163128414249  0.27770108204356253  0.279007332627475  1.0000
  C   C1        1.0  0.5306037245572001  0.5306037245571993  0.5354855162337929  1.0000
  H   H4        1.0  0.638137482758795  0.42560514890611056  0.6471991543330767  1.0000
  H   H5        1.0  0.42560514890611134  0.6381374827587949  0.6471991543330765  1.0000
  H   H6        1.0  0.6346356856573763  0.6346356856573752  0.4190920055553962  1.0000