data_ScGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   3.12
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGe
_chemical_formula_sum   'Sc2 Ge2'
_cell_volume   78.09
_cell_formula_units_Z   2
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  Sc2  1  0.97  0.0  0.04  1.0
  Sc  Sc3  1  0.32  0.0  0.7  1.0
  Ge  Ge0  1  0.97  0.56  0.38  1.0
  Ge  Ge1  1  0.32  0.56  0.36  1.0

data_ScGe
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.74
_cell_length_b   3.12
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   ScGe
_chemical_formula_sum   'Sc2 Ge2'
_cell_volume   78.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.33  0.0  0.18  1.0
  Ge  Ge1  2  0.01  0.44  0.82  1.0

Sc Sc Ge Ge