data_SrCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.64
_cell_length_b   11.42
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrGe2
_chemical_formula_sum   'Sr12 Cr12 Ge24'
_cell_volume   1040.28
_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
  Sr  Sr0  1  0.46  0.64  0.0  1.0
  Sr  Sr1  1  0.18  0.78  0.0  1.0
  Sr  Sr2  1  0.86  0.34  0.0  1.0
  Sr  Sr3  1  0.78  0.07  0.0  1.0
  Sr  Sr4  1  0.49  0.52  0.24  1.0
  Sr  Sr5  1  0.15  0.89  0.33  1.0
  Sr  Sr6  1  0.15  0.89  0.24  1.0
  Sr  Sr7  1  0.83  0.23  0.33  1.0
  Sr  Sr8  1  0.49  0.52  0.33  1.0
  Sr  Sr9  1  0.81  0.19  0.24  1.0
  Sr  Sr10  1  0.81  0.19  0.33  1.0
  Sr  Sr11  1  0.83  0.23  0.24  1.0
  Cr  Cr12  1  0.0  0.0  0.1  1.0
  Cr  Cr13  1  0.0  0.0  0.46  1.0
  Cr  Cr14  1  0.32  0.71  0.46  1.0
  Cr  Cr15  1  0.32  0.71  0.1  1.0
  Cr  Cr16  1  0.86  0.8  0.04  1.0
  Cr  Cr17  1  0.78  0.62  0.52  1.0
  Cr  Cr18  1  0.78  0.62  0.04  1.0
  Cr  Cr19  1  0.46  0.51  0.52  1.0
  Cr  Cr20  1  0.86  0.8  0.52  1.0
  Cr  Cr21  1  0.18  0.91  0.04  1.0
  Cr  Cr22  1  0.18  0.91  0.52  1.0
  Cr  Cr23  1  0.46  0.51  0.04  1.0
  Ge  Ge24  1  0.41  0.87  0.28  1.0
  Ge  Ge25  1  0.22  0.55  0.28  1.0
  Ge  Ge26  1  0.91  0.58  0.28  1.0
  Ge  Ge27  1  0.73  0.84  0.28  1.0
  Ge  Ge28  1  0.21  0.16  0.0  1.0
  Ge  Ge29  1  0.43  0.26  0.0  1.0
  Ge  Ge30  1  0.11  0.87  0.0  1.0
  Ge  Ge31  1  0.53  0.55  0.0  1.0
  Ge  Ge32  1  0.93  0.19  0.28  1.0
  Ge  Ge33  1  0.71  0.23  0.28  1.0
  Ge  Ge34  1  0.39  0.9  0.28  1.0
  Ge  Ge35  1  0.25  0.52  0.28  1.0
  Ge  Ge36  1  0.36  0.36  0.0  1.0
  Ge  Ge37  1  0.27  0.06  0.0  1.0
  Ge  Ge38  1  0.95  0.07  0.0  1.0
  Ge  Ge39  1  0.68  0.35  0.0  1.0
  Ge  Ge40  1  0.73  0.69  0.99  1.0
  Ge  Ge41  1  0.91  0.73  0.57  1.0
  Ge  Ge42  1  0.91  0.73  0.99  1.0
  Ge  Ge43  1  0.59  0.4  0.57  1.0
  Ge  Ge44  1  0.73  0.69  0.57  1.0
  Ge  Ge45  1  0.05  0.02  0.99  1.0
  Ge  Ge46  1  0.05  0.02  0.57  1.0
  Ge  Ge47  1  0.59  0.4  0.99  1.0

data_SrCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.57
_cell_length_b   10.64
_cell_length_c   11.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrGe2
_chemical_formula_sum   'Sr12 Cr12 Ge24'
_cell_volume   1040.28
_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
  Sr  Sr0  1  0.0  0.78  0.07  1.0
  Sr  Sr1  1  0.0  0.46  0.64  1.0
  Sr  Sr2  1  0.0  0.18  0.78  1.0
  Sr  Sr3  1  0.0  0.86  0.34  1.0
  Sr  Sr4  1  0.24  0.15  0.89  1.0
  Sr  Sr5  1  0.24  0.49  0.52  1.0
  Sr  Sr6  1  0.24  0.81  0.19  1.0
  Sr  Sr7  1  0.24  0.83  0.23  1.0
  Sr  Sr8  1  0.33  0.15  0.89  1.0
  Sr  Sr9  1  0.33  0.49  0.52  1.0
  Sr  Sr10  1  0.33  0.81  0.19  1.0
  Sr  Sr11  1  0.33  0.83  0.23  1.0
  Cr  Cr12  1  0.04  0.18  0.91  1.0
  Cr  Cr13  1  0.04  0.46  0.51  1.0
  Cr  Cr14  1  0.04  0.78  0.62  1.0
  Cr  Cr15  1  0.04  0.86  0.8  1.0
  Cr  Cr16  1  0.1  0.0  0.0  1.0
  Cr  Cr17  1  0.1  0.32  0.71  1.0
  Cr  Cr18  1  0.46  0.0  0.0  1.0
  Cr  Cr19  1  0.46  0.32  0.71  1.0
  Cr  Cr20  1  0.52  0.18  0.91  1.0
  Cr  Cr21  1  0.52  0.46  0.51  1.0
  Cr  Cr22  1  0.52  0.78  0.62  1.0
  Cr  Cr23  1  0.52  0.86  0.8  1.0
  Ge  Ge24  1  0.0  0.53  0.55  1.0
  Ge  Ge25  1  0.0  0.27  0.06  1.0
  Ge  Ge26  1  0.0  0.95  0.07  1.0
  Ge  Ge27  1  0.0  0.21  0.16  1.0
  Ge  Ge28  1  0.0  0.43  0.26  1.0
  Ge  Ge29  1  0.0  0.68  0.35  1.0
  Ge  Ge30  1  0.0  0.36  0.36  1.0
  Ge  Ge31  1  0.0  0.11  0.87  1.0
  Ge  Ge32  1  0.28  0.22  0.55  1.0
  Ge  Ge33  1  0.28  0.25  0.52  1.0
  Ge  Ge34  1  0.28  0.39  0.9  1.0
  Ge  Ge35  1  0.28  0.41  0.87  1.0
  Ge  Ge36  1  0.28  0.71  0.23  1.0
  Ge  Ge37  1  0.28  0.73  0.84  1.0
  Ge  Ge38  1  0.28  0.91  0.58  1.0
  Ge  Ge39  1  0.28  0.93  0.19  1.0
  Ge  Ge40  1  0.57  0.05  0.02  1.0
  Ge  Ge41  1  0.57  0.59  0.4  1.0
  Ge  Ge42  1  0.57  0.73  0.69  1.0
  Ge  Ge43  1  0.57  0.91  0.73  1.0
  Ge  Ge44  1  0.99  0.05  0.02  1.0
  Ge  Ge45  1  0.99  0.59  0.4  1.0
  Ge  Ge46  1  0.99  0.73  0.69  1.0
  Ge  Ge47  1  0.99  0.91  0.73  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr 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
Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr 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 0 31 o o o 0 15 o o o 1 30 o o o 1 15 o o o 2 39 o o o 3 38 o o o 4 8 o o o 5 6 o o o 5 14 o o o 5 22 o o o 7 10 o o o 7 32 o o o 7 33 o o o 8 14 o o o 8 19 o o o 9 11 o o o 9 32 o o o 9 33 o o o 10 32 o o o 10 33 o o o 11 32 o o o 11 33 o o o 12 38 - o o 12 45 o o - 13 46 o o o 14 35 o o o 14 25 o o o 14 22 o o o 14 19 o o o 14 34 o o o 14 24 o o o 14 15 o o o 16 42 o o - 16 27 o o o 17 44 o o o 17 26 o o o 18 40 o o - 18 26 o o o 19 43 o o o 20 41 o o o 20 27 o o o 21 30 o o o 22 46 o + o 23 31 o o o 24 34 o o o 25 35 o o o 26 42 o o - 26 41 o o o 27 40 o o - 27 44 o o o 28 37 o o o 29 36 o o o 38 45 + o - 39 47 o o - 