data_ScSi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   138.12
_cell_angle_beta   138.12
_cell_angle_gamma   60.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2Ge
_chemical_formula_sum   'Sc1 Si2 Ge1'
_cell_volume   66.8
_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
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.91  0.0  0.3  1.0
  Si  Si3  1  0.0  0.91  0.3  1.0
  Ge  Ge0  1  0.0  0.0  0.6  1.0

data_ScSi2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   120.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSi2Ge
_chemical_formula_sum   'Sc2 Si4 Ge2'
_cell_volume   133.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sc  Sc0  2  0.0  0.0  0.0  1.0
  Si  Si1  4  0.05  0.05  0.39  1.0
  Ge  Ge2  2  0.0  0.0  0.6  1.0

Sc Si Si Ge