data_image0
_chemical_formula_structural       AlBrSeBr
_chemical_formula_sum              "Al1 Br2 Se1"
_cell_length_a       3.4317434098688024
_cell_length_b       5.1580567688177865
_cell_length_c       18.607643278342575
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.01033206580068

_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  0.251590972483604  0.7510132363519675  0.49999583132747516  1.0000
  Br  Br1       1.0  0.7515270047449496  0.7520530835374079  0.40294539710607846  1.0000
  Se  Se1       1.0  0.2504850881564065  0.2515727181318909  0.5000457651093142  1.0000
  Br  Br2       1.0  0.7512664134730579  0.7516564200245799  0.5970528236066642  1.0000