data_image0
_chemical_formula_structural       Al3Se4
_chemical_formula_sum              "Al3 Se4"
_cell_length_a       3.7460016928506996
_cell_length_b       3.746001692850671
_cell_length_c       40.50312
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  0.999999999239002  6.541440118971453e-18  0.5  1.0000
  Al  Al2       1.0  0.6666666671776514  0.3333333324467901  0.5834142917878918  1.0000
  Al  Al3       1.0  0.33333333398803194  0.6666666679760682  0.41658570821210805  1.0000
  Se  Se1       1.0  0.999999999239002  6.541440118971453e-18  0.3869906784958788  1.0000
  Se  Se2       1.0  0.999999999239002  6.541440118971453e-18  0.6130093215041211  1.0000
  Se  Se3       1.0  0.6666666671776514  0.3333333324467901  0.4628730166959977  1.0000
  Se  Se4       1.0  0.33333333398803194  0.6666666679760682  0.5371269833040022  1.0000