data_Si2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   143.58
_cell_angle_beta   122.99
_cell_angle_gamma   69.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnAs
_chemical_formula_sum   'Si2 Sn1 As1'
_cell_volume   80.3
_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  0.71  0.0  0.03  1.0
  Si  Si2  1  0.0  0.0  0.87  1.0
  Sn  Sn3  1  0.71  0.0  0.39  1.0
  As  As0  1  0.0  0.0  0.2  1.0

data_Si2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.22
_cell_length_c   5.47
_cell_angle_alpha   118.5
_cell_angle_beta   108.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnAs
_chemical_formula_sum   'Si2 Sn1 As1'
_cell_volume   80.3
_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  0.13  0.13  0.13  1.0
  Si  Si1  1  0.68  0.97  0.68  1.0
  Sn  Sn2  1  0.32  0.61  0.32  1.0
  As  As3  1  0.8  0.8  0.8  1.0

Si Si Sn As