data_ScTi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   4.95
_cell_angle_alpha   103.65
_cell_angle_beta   103.65
_cell_angle_gamma   32.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2Ge
_chemical_formula_sum   'Sc1 Ti2 Ge1'
_cell_volume   72.01
_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
  Ti  Ti2  1  0.44  0.0  0.47  1.0
  Ti  Ti3  1  0.43  0.0  0.33  1.0
  Ge  Ge0  1  0.44  0.0  0.4  1.0

data_ScTi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.95
_cell_length_c   5.26
_cell_angle_alpha   103.65
_cell_angle_beta   106.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTi2Ge
_chemical_formula_sum   'Sc1 Ti2 Ge1'
_cell_volume   72.01
_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  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.33  0.43  1.0
  Ti  Ti2  1  0.0  0.47  0.44  1.0
  Ge  Ge3  1  0.0  0.4  0.44  1.0

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