data_SbAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46
_cell_length_b   7.13
_cell_length_c   3.34
_cell_angle_alpha   82.34
_cell_angle_beta   71.31
_cell_angle_gamma   26.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbAsSe
_chemical_formula_sum   'Sb1 As1 Se1'
_cell_volume   69.6
_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
  Sb  Sb1  1  0.78  0.83  0.19  1.0
  As  As0  1  0.78  0.83  0.64  1.0
  Se  Se2  1  0.78  0.83  0.8  1.0

data_SbAsSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.57
_cell_length_b   13.81
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   122.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbAsSe
_chemical_formula_sum   'Sb2 As2 Se2'
_cell_volume   139.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sb  Sb0  2  0.2  0.0  0.03  1.0
  As  As1  2  0.25  0.5  0.58  1.0
  Se  Se2  2  0.09  0.5  0.42  1.0

Sb As Se
Sb As Se 0 2 o o - 0 1 o o o 1 2 o o o 