data_ScAlGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   137.13
_cell_angle_beta   137.13
_cell_angle_gamma   62.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlGe2
_chemical_formula_sum   'Sc1 Al1 Ge2'
_cell_volume   70.77
_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  0.96  0.3  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.96  0.0  0.3  1.0
  Ge  Ge2  1  0.0  0.0  0.6  1.0

data_ScAlGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.37
_cell_angle_alpha   111.44
_cell_angle_beta   111.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScAlGe2
_chemical_formula_sum   'Sc1 Al1 Ge2'
_cell_volume   70.77
_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  0.66  0.96  0.66  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.4  0.0  0.4  1.0
  Ge  Ge3  1  0.7  0.0  0.66  1.0

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