data_ScAl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   135.56
_cell_angle_beta   135.56
_cell_angle_gamma   64.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Ge
_chemical_formula_sum   'Sc1 Al2 Ge1'
_cell_volume   69.49
_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  Sc3  1  0.0  0.0  0.43  1.0
  Al  Al0  1  0.0  0.98  0.21  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.98  0.0  0.21  1.0

data_ScAl2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   5.24
_cell_angle_alpha   112.22
_cell_angle_beta   112.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAl2Ge
_chemical_formula_sum   'Sc1 Al2 Ge1'
_cell_volume   69.49
_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  Sc0  1  0.57  0.0  0.57  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.77  0.98  0.77  1.0
  Ge  Ge3  1  0.79  0.0  0.77  1.0

Sc Al Al Ge
Sc Al Al Ge 0 3 - o o 0 1 o - o 1 3 - + o 1 2 o + o 2 3 - o o 