data_image0
_chemical_formula_structural       Al2Br2Se2
_chemical_formula_sum              "Al2 Br2 Se2"
_cell_length_a       3.8838005406609972
_cell_length_b       5.623242858022889
_cell_length_c       35.149896
_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  7.162037644410204e-18  0.00906689454595711  0.5286010524753757  1.0000
  Al  Al2       1.0  0.4999999999149033  0.509066892943422  0.47139894752462425  1.0000
  Br  Br1       1.0  5.432100058896629e-18  0.21806250253810555  0.5838970439628043  1.0000
  Br  Br2       1.0  0.4999999999149033  0.7180625027139038  0.41610295603719566  1.0000
  Se  Se1       1.0  3.601891583637222e-18  0.23979635488731216  0.4696549019661395  1.0000
  Se  Se2       1.0  0.4999999999149033  0.7397963550631103  0.5303450980338604  1.0000