data_Mg6Ni16Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   8.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6Ni16Ge7
_chemical_formula_sum   'Mg6 Ni16 Ge7'
_cell_volume   384.25
_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
  Mg  Mg0  1  0.77  0.77  0.13  1.0
  Mg  Mg1  1  0.41  0.77  0.77  1.0
  Mg  Mg2  1  0.13  0.77  0.77  1.0
  Mg  Mg3  1  0.77  0.13  0.77  1.0
  Mg  Mg4  1  0.77  0.41  0.77  1.0
  Mg  Mg5  1  0.77  0.77  0.41  1.0
  Ni  Ni6  1  0.95  0.82  0.95  1.0
  Ni  Ni7  1  0.6  0.6  0.72  1.0
  Ni  Ni8  1  0.72  0.6  0.6  1.0
  Ni  Ni9  1  0.72  0.72  0.72  1.0
  Ni  Ni10  1  0.82  0.95  0.95  1.0
  Ni  Ni11  1  0.82  0.82  0.82  1.0
  Ni  Ni12  1  0.95  0.95  0.82  1.0
  Ni  Ni13  1  0.6  0.72  0.6  1.0
  Ni  Ni14  1  0.4  0.37  0.4  1.0
  Ni  Ni15  1  0.14  0.14  0.17  1.0
  Ni  Ni16  1  0.17  0.14  0.14  1.0
  Ni  Ni17  1  0.17  0.17  0.17  1.0
  Ni  Ni18  1  0.37  0.4  0.4  1.0
  Ni  Ni19  1  0.37  0.37  0.37  1.0
  Ni  Ni20  1  0.4  0.4  0.37  1.0
  Ni  Ni21  1  0.14  0.17  0.14  1.0
  Ge  Ge22  1  0.0  0.0  0.0  1.0
  Ge  Ge23  1  0.89  0.89  0.0  1.0
  Ge  Ge24  1  0.0  0.89  0.89  1.0
  Ge  Ge25  1  0.77  0.89  0.89  1.0
  Ge  Ge26  1  0.89  0.89  0.77  1.0
  Ge  Ge27  1  0.89  0.77  0.89  1.0
  Ge  Ge28  1  0.89  0.0  0.89  1.0

data_Mg6Ni16Ge7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   19.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mg6Ni16Ge7
_chemical_formula_sum   'Mg18 Ni48 Ge21'
_cell_volume   1152.74
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Mg  Mg0  9  0.09  0.55  0.78  1.0
  Mg  Mg1  9  0.21  0.42  0.02  1.0
  Ni  Ni2  9  0.01  0.02  0.85  1.0
  Ni  Ni3  9  0.02  0.01  0.61  1.0
  Ni  Ni4  9  0.04  0.08  0.36  1.0
  Ni  Ni5  9  0.08  0.04  0.09  1.0
  Ni  Ni6  3  0.0  0.0  0.18  1.0
  Ni  Ni7  3  0.0  0.0  0.28  1.0
  Ni  Ni8  3  0.0  0.0  0.63  1.0
  Ni  Ni9  3  0.0  0.0  0.83  1.0
  Ge  Ge10  9  0.04  0.08  0.08  1.0
  Ge  Ge11  9  0.08  0.04  0.15  1.0
  Ge  Ge12  3  0.0  0.0  0.0  1.0

Mg Mg Mg Mg Mg Mg Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ge Ge Ge Ge Ge Ge Ge
Mg Mg Mg Mg Mg Mg Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ge Ge Ge Ge Ge Ge Ge 0 23 o o o 0 10 o o - 0 6 o o - 1 13 o o o 1 7 o o o 2 24 o o o 2 12 - o o 2 6 - o o 3 10 o - o 3 28 o o o 3 12 o - o 4 7 o o o 4 8 o o o 5 13 o o o 5 8 o o o 6 23 o o + 6 24 + o o 7 13 o o o 7 8 o o o 7 9 o o o 8 13 o o o 8 9 o o o 9 13 o o o 10 23 o o + 10 28 o + o 11 25 o o o 11 27 o o o 11 26 o o o 12 28 o + o 12 24 + o o 14 18 o o o 14 20 o o o 14 19 o o o 15 21 o o o 15 16 o o o 15 17 o o o 16 21 o o o 16 17 o o o 17 21 o o o 18 20 o o o 18 19 o o o 19 20 o o o 22 24 o - - 22 23 - - o 22 28 - o - 