data_image0
_chemical_formula_structural       PtIAlSePdI2Se2
_chemical_formula_sum              "Pt1 I3 Al1 Se3 Pd1"
_cell_length_a       21.39022628511886
_cell_length_b       19.41661308175083
_cell_length_c       6.263540581950479
_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
  Pt  Pt1       1.0  0.4298728033999491  0.49974986213069905  0.9719457430107746  1.0000
  I   I1        1.0  0.6454448400611859  0.5013029560581267  0.3967613051313651  1.0000
  Al  Al1       1.0  0.5269080462558878  0.5003168392041516  0.428108788869507  1.0000
  Se  Se1       1.0  0.4608859578083369  0.5850793304181113  0.23677386563757793  1.0000
  Pd  Pd1       1.0  0.4023624403431803  0.4995709242955475  0.454318516238199  1.0000
  I   I2        1.0  0.3670503389401294  0.5962762436791668  0.7315755237994863  1.0000
  I   I3        1.0  0.36827427110796634  0.40231316070036793  0.7313513176017173  1.0000
  Se  Se2       1.0  0.4617182628129467  0.4148022068049478  0.23685890924157807  1.0000
  Se  Se3       1.0  0.5375600940007289  0.5004950479188964  0.8035418249153068  1.0000