data_image0
_chemical_formula_structural       Sn2Ba2Cu4Se8
_chemical_formula_sum              "Sn2 Ba2 Cu4 Se8"
_cell_length_a       9.128695382189257
_cell_length_b       6.75727885016217
_cell_length_c       6.907656348732021
_cell_angle_alpha    89.99998862268775
_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  0.49999999999999956  0.20500309628103353  0.4895198677883273  1.0000
  Sn  Sn2       1.0  4.2293411955527123e-19  0.794995939909471  0.9895196296576726  1.0000
  Ba  Ba1       1.0  0.49999999999999983  0.7102724996623008  0.9644158427465183  1.0000
  Ba  Ba2       1.0  3.4995061660616824e-19  0.28972638733858536  0.46441594642525236  1.0000
  Cu  Cu1       1.0  0.7498543463629106  0.6899395665082237  0.5168532375292068  1.0000
  Cu  Cu2       1.0  0.25014565363709057  0.6899395665082237  0.5168532375292068  1.0000
  Cu  Cu3       1.0  0.7501456664394452  0.31005922688655757  0.01685383573224497  1.0000
  Cu  Cu4       1.0  0.24985433356055417  0.31005922688655757  0.01685383573224497  1.0000
  Se  Se1       1.0  0.49999999999999956  0.21934314656927537  0.11587751015123367  1.0000
  Se  Se2       1.0  4.0096514629083675e-19  0.7806557807758282  0.6158773055522586  1.0000
  Se  Se3       1.0  0.49999999999999983  0.8298815616427163  0.5196267171313647  1.0000
  Se  Se4       1.0  9.43689105785394e-19  0.17011743026123288  0.019626703338220575  1.0000
  Se  Se5       1.0  0.7940931062679685  0.6203668192223261  0.1771562113650736  1.0000
  Se  Se6       1.0  0.20590689373203167  0.6203668192223261  0.1771562113650736  1.0000
  Se  Se7       1.0  0.7059068937740555  0.3796322088306683  0.6771564150526527  1.0000
  Se  Se8       1.0  0.2940931062259437  0.3796322088306683  0.6771564150526527  1.0000