data_ScGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   3.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGe2
_chemical_formula_sum   'Sc3 Ge6'
_cell_volume   180.28
_cell_formula_units_Z   3
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  Sc6  1  0.0  0.21  0.96  1.0
  Sc  Sc7  1  0.65  0.1  0.96  1.0
  Sc  Sc8  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.91  0.0  0.96  1.0
  Ge  Ge1  1  0.05  0.65  0.96  1.0
  Ge  Ge2  1  0.69  0.66  0.96  1.0
  Ge  Ge3  1  0.38  0.0  0.0  1.0
  Ge  Ge4  1  0.81  0.8  0.0  1.0
  Ge  Ge5  1  0.45  0.52  0.0  1.0

data_ScGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGe2
_chemical_formula_sum   'Sc3 Ge6'
_cell_volume   180.28
_cell_formula_units_Z   3
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
  Sc  Sc1  1  0.96  0.0  0.21  1.0
  Sc  Sc2  1  0.96  0.65  0.1  1.0
  Ge  Ge3  1  0.0  0.38  0.0  1.0
  Ge  Ge4  1  0.0  0.45  0.52  1.0
  Ge  Ge5  1  0.0  0.81  0.8  1.0
  Ge  Ge6  1  0.96  0.05  0.65  1.0
  Ge  Ge7  1  0.96  0.69  0.66  1.0
  Ge  Ge8  1  0.96  0.91  0.0  1.0

Sc Sc Sc Ge Ge Ge Ge Ge Ge