data_image0
_chemical_formula_structural       PbBrCl2NH3CH3
_chemical_formula_sum              "Pb1 Br1 Cl2 N1 H6 C1"
_cell_length_a       5.97311086051685
_cell_length_b       5.702130313618985
_cell_length_c       5.70211501754576
_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  0.008057108650193065  0.9751483785231949  0.9752117131575686  1.0000
  Br  Br1       1.0  0.5123002647168866  0.9769884934552727  0.9770182835690057  1.0000
  Cl  Cl1       1.0  0.03050350002350171  0.4840283834336755  0.00549368576301608  1.0000
  Cl  Cl2       1.0  0.03046410172699301  0.0054344165283316676  0.48406143133967583  1.0000
  N   N1        1.0  0.41404491345883404  0.37759736638071617  0.3776606147727482  1.0000
  H   H1        1.0  0.3072543993818118  0.4760336409169306  0.2706454950941229  1.0000
  H   H2        1.0  0.30724656488375174  0.2705807460331435  0.4760849843228142  1.0000
  H   H3        1.0  0.49613751250481464  0.2628076375162761  0.2628660560888489  1.0000
  C   C1        1.0  0.5684406701157616  0.5204813157282058  0.520561713533435  1.0000
  H   H4        1.0  0.6742037417675351  0.4040506535121477  0.6269134964531079  1.0000
  H   H5        1.0  0.4704912756522657  0.6357537421404549  0.6358416677365976  1.0000
  H   H6        1.0  0.6742119627828148  0.6268384415230461  0.4041436243523952  1.0000