data_image0
_chemical_formula_structural       Al4Se6
_chemical_formula_sum              "Al4 Se6"
_cell_length_a       6.793362
_cell_length_b       6.845487693669532
_cell_length_c       7.426627906934411
_cell_angle_alpha    116.56482471301615
_cell_angle_beta     90.0
_cell_angle_gamma    119.74842890857407

_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  0.3599618553000002  0.9182614408000003  0.3729644022  1.0000
  Al  Al2       1.0  0.7314412827000001  0.5983974989  0.38388607910000005  1.0000
  Al  Al3       1.0  0.5582986851000001  0.9182596398000001  0.8729636975000001  1.0000
  Al  Al4       1.0  0.8669558617000002  0.5983973787  0.8838853716  1.0000
  Se  Se1       1.0  0.9213073051  0.006934427200000002  0.0083674009  1.0000
  Se  Se2       1.0  0.40823166180000003  0.6535042467  0.4875514467  1.0000
  Se  Se3       1.0  0.7537759162000002  0.32310148220000007  0.49723100780000007  1.0000
  Se  Se4       1.0  0.0856287466  0.006935321099999992  0.5083682643  1.0000
  Se  Se5       1.0  0.24527387230000008  0.6535068214000002  0.9875523073000001  1.0000
  Se  Se6       1.0  0.5693266835  0.323101362  0.9972303003  1.0000