data_Si2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnAs
_chemical_formula_sum   'Si2 Sn1 As1'
_cell_volume   78.46
_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  Si1  1  0.7  0.0  0.07  1.0
  Si  Si2  1  0.7  0.0  0.15  1.0
  Sn  Sn3  1  0.0  0.0  0.61  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Si2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnAs
_chemical_formula_sum   'Si2 Sn1 As1'
_cell_volume   78.46
_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  0.7  0.0  0.07  1.0
  Si  Si1  1  0.7  0.0  0.15  1.0
  Sn  Sn2  1  0.0  0.0  0.61  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Si Si Sn As
Si Si Sn As 0 1 o o o 0 3 + o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 o o + 