data_SiSn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.25
_cell_angle_alpha   113.03
_cell_angle_beta   113.03
_cell_angle_gamma   36.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2As
_chemical_formula_sum   'Si1 Sn2 As1'
_cell_volume   92.4
_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  0.86  0.0  0.46  1.0
  Sn  Sn2  1  0.49  0.0  0.6  1.0
  Sn  Sn3  1  0.65  0.0  0.31  1.0
  As  As0  1  0.79  0.0  0.61  1.0

data_SiSn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.25
_cell_length_c   5.72
_cell_angle_alpha   113.03
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSn2As
_chemical_formula_sum   'Si1 Sn2 As1'
_cell_volume   92.4
_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  0.46  0.86  1.0
  Sn  Sn1  1  0.0  0.31  0.65  1.0
  Sn  Sn2  1  0.0  0.6  0.49  1.0
  As  As3  1  0.0  0.61  0.79  1.0

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