data_SiGe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   145.93
_cell_angle_beta   139.08
_cell_angle_gamma   54.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGe2As
_chemical_formula_sum   'Si1 Ge2 As1'
_cell_volume   76.74
_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  0.45  1.0
  Ge  Ge1  1  0.0  0.0  0.5  1.0
  Ge  Ge2  1  0.74  0.0  0.2  1.0
  As  As0  1  0.0  0.08  0.03  1.0

data_SiGe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.16
_cell_length_c   5.95
_cell_angle_alpha   110.46
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGe2As
_chemical_formula_sum   'Si1 Ge2 As1'
_cell_volume   76.74
_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  0.55  0.55  0.55  1.0
  Ge  Ge1  1  0.5  0.5  0.5  1.0
  Ge  Ge2  1  0.54  0.8  0.54  1.0
  As  As3  1  0.97  0.05  0.05  1.0

Si Ge Ge As