data_AsSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.18
_cell_angle_alpha   103.39
_cell_angle_beta   103.39
_cell_angle_gamma   32.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsSe3
_chemical_formula_sum   'As1 Se3'
_cell_volume   102.26
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.29  0.0  0.51  1.0
  Se  Se2  1  0.06  0.0  0.85  1.0
  Se  Se3  1  0.53  0.0  0.17  1.0

data_AsSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.18
_cell_length_c   6.16
_cell_angle_alpha   103.39
_cell_angle_beta   106.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsSe3
_chemical_formula_sum   'As1 Se3'
_cell_volume   102.26
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.17  0.53  1.0
  Se  Se2  1  0.0  0.51  0.29  1.0
  Se  Se3  1  0.0  0.85  0.06  1.0

As Se Se Se
As Se Se Se 0 2 o o - 0 1 o o o 0 3 o o o 0 3 - o o 1 2 o o o 1 3 o o o 1 3 o o + 2 3 o o + 3 3 + - o 