data_Zr6Ni16Ge7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   8.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Ni16Ge7
_chemical_formula_sum   'Zr6 Ni16 Ge7'
_cell_volume   396.98
_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
  Zr  Zr23  1  0.83  0.83  0.42  1.0
  Zr  Zr24  1  0.83  0.83  0.24  1.0
  Zr  Zr25  1  0.42  0.83  0.83  1.0
  Zr  Zr26  1  0.24  0.83  0.83  1.0
  Zr  Zr27  1  0.83  0.24  0.83  1.0
  Zr  Zr28  1  0.83  0.42  0.83  1.0
  Ni  Ni7  1  0.7  0.8  0.7  1.0
  Ni  Ni8  1  0.8  0.8  0.8  1.0
  Ni  Ni9  1  0.7  0.7  0.8  1.0
  Ni  Ni10  1  0.8  0.7  0.7  1.0
  Ni  Ni11  1  0.86  0.86  0.86  1.0
  Ni  Ni12  1  0.97  0.86  0.97  1.0
  Ni  Ni13  1  0.97  0.97  0.86  1.0
  Ni  Ni14  1  0.86  0.97  0.97  1.0
  Ni  Ni15  1  0.22  0.28  0.22  1.0
  Ni  Ni16  1  0.28  0.28  0.28  1.0
  Ni  Ni17  1  0.22  0.22  0.28  1.0
  Ni  Ni18  1  0.28  0.22  0.22  1.0
  Ni  Ni19  1  0.38  0.38  0.38  1.0
  Ni  Ni20  1  0.45  0.38  0.45  1.0
  Ni  Ni21  1  0.45  0.45  0.38  1.0
  Ni  Ni22  1  0.38  0.45  0.45  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.92  0.92  0.0  1.0
  Ge  Ge2  1  0.92  0.92  0.83  1.0
  Ge  Ge3  1  0.0  0.92  0.92  1.0
  Ge  Ge4  1  0.83  0.92  0.92  1.0
  Ge  Ge5  1  0.92  0.83  0.92  1.0
  Ge  Ge6  1  0.92  0.0  0.92  1.0

data_Zr6Ni16Ge7
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   20.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Zr6Ni16Ge7
_chemical_formula_sum   'Zr18 Ni48 Ge21'
_cell_volume   1190.95
_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
  Zr  Zr0  9  0.06  0.53  0.7  1.0
  Zr  Zr1  9  0.2  0.39  0.97  1.0
  Ni  Ni2  9  0.02  0.04  0.76  1.0
  Ni  Ni3  9  0.04  0.07  0.27  1.0
  Ni  Ni4  9  0.04  0.02  0.57  1.0
  Ni  Ni5  9  0.07  0.04  0.07  1.0
  Ni  Ni6  3  0.0  0.0  0.14  1.0
  Ni  Ni7  3  0.0  0.0  0.2  1.0
  Ni  Ni8  3  0.0  0.0  0.62  1.0
  Ni  Ni9  3  0.0  0.0  0.72  1.0
  Ge  Ge10  9  0.03  0.06  0.06  1.0
  Ge  Ge11  9  0.06  0.03  0.11  1.0
  Ge  Ge12  3  0.0  0.0  0.0  1.0

Zr Zr Zr Zr Zr Zr Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ge Ge Ge Ge Ge Ge Ge