data_image0
_chemical_formula_structural       SnIBr2Cs
_chemical_formula_sum              "Sn1 I1 Br2 Cs1"
_cell_length_a       6.173983408599273
_cell_length_b       5.757992676169578
_cell_length_c       5.757992676169578
_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
  Sn  Sn1       1.0  0.007005785972353931  0.0008422217274355166  0.000842221727435507  1.0000
  I   I1        1.0  0.5123619720895806  0.0004540341973980105  0.00045403419739801186  1.0000
  Br  Br1       1.0  0.9998618633897939  0.4992053196483307  0.9999353067712501  1.0000
  Br  Br2       1.0  0.9998618633897939  0.9999353067712501  0.49920531964833054  1.0000
  Cs  Cs1       1.0  0.5209831326364636  0.49986900369477616  0.4998690036947761  1.0000