data_ScCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35
_cell_length_b   10.02
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrGe2
_chemical_formula_sum   'Sc12 Cr12 Ge24'
_cell_volume   768.53
_cell_formula_units_Z   12
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  Sc36  1  0.26  0.55  0.0  1.0
  Sc  Sc37  1  0.76  0.54  0.0  1.0
  Sc  Sc38  1  0.59  0.47  0.0  1.0
  Sc  Sc39  1  0.09  0.47  0.0  1.0
  Sc  Sc40  1  0.21  0.82  0.0  1.0
  Sc  Sc41  1  0.81  0.81  0.0  1.0
  Sc  Sc42  1  0.54  0.21  0.0  1.0
  Sc  Sc43  1  0.14  0.2  0.0  1.0
  Sc  Sc44  1  0.26  0.55  0.2  1.0
  Sc  Sc45  1  0.76  0.54  0.2  1.0
  Sc  Sc46  1  0.59  0.47  0.2  1.0
  Sc  Sc47  1  0.09  0.47  0.2  1.0
  Cr  Cr0  1  0.41  0.58  0.05  1.0
  Cr  Cr1  1  0.62  0.59  0.05  1.0
  Cr  Cr2  1  0.73  0.43  0.05  1.0
  Cr  Cr3  1  0.94  0.44  0.05  1.0
  Cr  Cr4  1  0.68  0.01  0.01  1.0
  Cr  Cr5  1  0.0  0.0  0.01  1.0
  Cr  Cr6  1  0.68  0.01  0.19  1.0
  Cr  Cr7  1  0.0  0.0  0.19  1.0
  Cr  Cr8  1  0.41  0.58  0.16  1.0
  Cr  Cr9  1  0.62  0.59  0.16  1.0
  Cr  Cr10  1  0.73  0.43  0.16  1.0
  Cr  Cr11  1  0.94  0.44  0.16  1.0
  Ge  Ge12  1  0.08  0.25  0.1  1.0
  Ge  Ge13  1  0.81  0.08  0.1  1.0
  Ge  Ge14  1  0.21  0.09  0.1  1.0
  Ge  Ge15  1  0.95  0.26  0.1  1.0
  Ge  Ge16  1  0.4  0.75  0.1  1.0
  Ge  Ge17  1  0.14  0.93  0.1  1.0
  Ge  Ge18  1  0.54  0.94  0.1  1.0
  Ge  Ge19  1  0.27  0.76  0.1  1.0
  Ge  Ge20  1  0.29  0.84  0.78  1.0
  Ge  Ge21  1  0.74  0.83  0.78  1.0
  Ge  Ge22  1  0.61  0.18  0.78  1.0
  Ge  Ge23  1  0.06  0.17  0.78  1.0
  Ge  Ge24  1  0.08  0.23  0.0  1.0
  Ge  Ge25  1  0.89  0.01  0.0  1.0
  Ge  Ge26  1  0.13  0.02  0.0  1.0
  Ge  Ge27  1  0.95  0.24  0.0  1.0
  Ge  Ge28  1  0.4  0.78  0.0  1.0
  Ge  Ge29  1  0.22  0.0  0.0  1.0
  Ge  Ge30  1  0.46  0.01  0.0  1.0
  Ge  Ge31  1  0.27  0.79  0.0  1.0
  Ge  Ge32  1  0.29  0.84  0.43  1.0
  Ge  Ge33  1  0.74  0.83  0.43  1.0
  Ge  Ge34  1  0.61  0.18  0.43  1.0
  Ge  Ge35  1  0.06  0.17  0.43  1.0

data_ScCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.2
_cell_length_b   9.35
_cell_length_c   10.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCrGe2
_chemical_formula_sum   'Sc12 Cr12 Ge24'
_cell_volume   768.53
_cell_formula_units_Z   12
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  0.81  0.81  1.0
  Sc  Sc1  1  -0.0  0.21  0.82  1.0
  Sc  Sc2  1  -0.0  0.14  0.2  1.0
  Sc  Sc3  1  -0.0  0.54  0.21  1.0
  Sc  Sc4  1  0.0  0.09  0.47  1.0
  Sc  Sc5  1  0.0  0.26  0.55  1.0
  Sc  Sc6  1  0.0  0.59  0.47  1.0
  Sc  Sc7  1  0.0  0.76  0.54  1.0
  Sc  Sc8  1  0.2  0.09  0.47  1.0
  Sc  Sc9  1  0.2  0.26  0.55  1.0
  Sc  Sc10  1  0.2  0.59  0.47  1.0
  Sc  Sc11  1  0.2  0.76  0.54  1.0
  Cr  Cr12  1  0.01  0.0  0.0  1.0
  Cr  Cr13  1  0.01  0.68  0.01  1.0
  Cr  Cr14  1  0.05  0.41  0.58  1.0
  Cr  Cr15  1  0.05  0.62  0.59  1.0
  Cr  Cr16  1  0.05  0.73  0.43  1.0
  Cr  Cr17  1  0.05  0.94  0.44  1.0
  Cr  Cr18  1  0.16  0.41  0.58  1.0
  Cr  Cr19  1  0.16  0.62  0.59  1.0
  Cr  Cr20  1  0.16  0.73  0.43  1.0
  Cr  Cr21  1  0.16  0.94  0.44  1.0
  Cr  Cr22  1  0.19  0.0  0.0  1.0
  Cr  Cr23  1  0.19  0.68  0.01  1.0
  Ge  Ge24  1  -0.0  0.4  0.78  1.0
  Ge  Ge25  1  -0.0  0.95  0.24  1.0
  Ge  Ge26  1  -0.0  0.27  0.79  1.0
  Ge  Ge27  1  -0.0  0.46  0.01  1.0
  Ge  Ge28  1  -0.0  0.89  0.01  1.0
  Ge  Ge29  1  -0.0  0.08  0.23  1.0
  Ge  Ge30  1  -0.0  0.22  0.0  1.0
  Ge  Ge31  1  -0.0  0.13  0.02  1.0
  Ge  Ge32  1  0.1  0.08  0.25  1.0
  Ge  Ge33  1  0.1  0.14  0.93  1.0
  Ge  Ge34  1  0.1  0.21  0.09  1.0
  Ge  Ge35  1  0.1  0.27  0.76  1.0
  Ge  Ge36  1  0.1  0.4  0.75  1.0
  Ge  Ge37  1  0.1  0.54  0.94  1.0
  Ge  Ge38  1  0.1  0.81  0.08  1.0
  Ge  Ge39  1  0.1  0.95  0.26  1.0
  Ge  Ge40  1  0.43  0.06  0.17  1.0
  Ge  Ge41  1  0.43  0.29  0.84  1.0
  Ge  Ge42  1  0.43  0.61  0.18  1.0
  Ge  Ge43  1  0.43  0.74  0.83  1.0
  Ge  Ge44  1  0.78  0.06  0.17  1.0
  Ge  Ge45  1  0.78  0.29  0.84  1.0
  Ge  Ge46  1  0.78  0.61  0.18  1.0
  Ge  Ge47  1  0.78  0.74  0.83  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge Ge