data_image0
_chemical_formula_structural       PbBr3NH3CH3
_chemical_formula_sum              "Pb1 Br3 N1 H6 C1"
_cell_length_a       5.952398978353198
_cell_length_b       5.952398978353198
_cell_length_c       5.952389024210976
_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  0.9810000851621477  0.9810000851621475  0.9810858079945495  1.0000
  Br  Br1       1.0  0.48791651508989126  0.9967952700092075  0.996798654809097  1.0000
  Br  Br2       1.0  0.9967952700092076  0.48791651508989325  0.9967986548090971  1.0000
  Br  Br3       1.0  0.9967546801577349  0.9967546801577348  0.4880080805212422  1.0000
  N   N1        1.0  0.38664742521118806  0.38664742521119283  0.3867914909238664  1.0000
  H   H1        1.0  0.28031710476774013  0.47772165051068544  0.2804559350399065  1.0000
  H   H2        1.0  0.28030527545668693  0.2803052754566893  0.4778473686636536  1.0000
  H   H3        1.0  0.47772165051068577  0.28031710476774235  0.2804559350399065  1.0000
  C   C1        1.0  0.5300115103422184  0.530011510342216  0.5301830335939892  1.0000
  H   H4        1.0  0.636347090520002  0.4230342703841747  0.6365329980889142  1.0000
  H   H5        1.0  0.4230342703841688  0.6363470905200105  0.6365329980889142  1.0000
  H   H6        1.0  0.6363681520323277  0.6363681520323328  0.42323206577398215  1.0000