data_SiAs2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   10.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs2Se
_chemical_formula_sum   'Si1 As2 Se1'
_cell_volume   77.48
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.7  0.0  0.13  1.0
  As  As1  1  0.7  0.0  0.25  1.0
  Se  Se2  1  0.0  0.0  0.19  1.0

data_SiAs2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   10.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAs2Se
_chemical_formula_sum   'Si1 As2 Se1'
_cell_volume   77.48
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.7  0.0  0.13  1.0
  As  As2  1  0.7  0.0  0.25  1.0
  Se  Se3  1  0.0  0.0  0.19  1.0

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