data_image0
_chemical_formula_structural       PbCl3NH3CH3
_chemical_formula_sum              "Pb1 Cl3 N1 H6 C1"
_cell_length_a       5.699259347322138
_cell_length_b       5.699259347322138
_cell_length_c       5.6992613348517525
_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  0.9817834440693728  0.9817834440693728  0.9818324262993413  1.0000
  Cl  Cl1       1.0  0.4873855454580739  0.9999319200442403  0.9999471673390548  1.0000
  Cl  Cl2       1.0  0.9999319200442403  0.48738554545806784  0.9999471673390546  1.0000
  Cl  Cl3       1.0  0.9999007887042082  0.9999007887042081  0.4874152692022589  1.0000
  N   N1        1.0  0.3868854078345372  0.3868854078345383  0.386938881814539  1.0000
  H   H1        1.0  0.27562841595260473  0.4816269929525629  0.27567525192434505  1.0000
  H   H2        1.0  0.2756202218745911  0.27562022187459034  0.4816689327523129  1.0000
  H   H3        1.0  0.481626992952561  0.27562841595260473  0.27567525192434505  1.0000
  C   C1        1.0  0.5364543180356499  0.5364543180356499  0.5365240084078083  1.0000
  H   H4        1.0  0.6476421277591601  0.4250083869280139  0.6477156210471524  1.0000
  H   H5        1.0  0.4250083869280133  0.6476421277591641  0.6477156210471524  1.0000
  H   H6        1.0  0.6476505435630195  0.6476505435630215  0.4250909070339867  1.0000