data_image0
_chemical_formula_structural       Al2Se2Br2
_chemical_formula_sum              "Al2 Se2 Br2"
_cell_length_a       5.235231933828804
_cell_length_b       3.6147183804850247
_cell_length_c       21.341805962036666
_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
  Al  Al1       1.0  0.5000000005893909  5.3508037605729305e-20  0.45249409900821813  1.0000
  Al  Al2       1.0  3.391862061507382e-18  0.4999999999329098  0.5475061342411771  1.0000
  Se  Se1       1.0  0.5000000005893909  0.4999999999329098  0.534736251950766  1.0000
  Se  Se2       1.0  2.8245712138750148e-18  3.0227452510785383e-37  0.46526418652962076  1.0000
  Br  Br1       1.0  0.5000000005893909  0.4999999999329098  0.36825997359269297  1.0000
  Br  Br2       1.0  3.835231059652642e-18  4.104313750493001e-37  0.6317403683635289  1.0000