data_ZrNiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   3.89
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNiGe
_chemical_formula_sum   'Zr4 Ni4 Ge4'
_cell_volume   191.29
_cell_formula_units_Z   4
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  Zr0  1  0.13  0.97  0.4  1.0
  Zr  Zr1  1  0.43  0.97  0.32  1.0
  Zr  Zr2  1  0.46  0.92  0.05  1.0
  Zr  Zr3  1  0.17  0.92  0.13  1.0
  Ni  Ni4  1  0.92  0.97  0.18  1.0
  Ni  Ni5  1  0.22  0.97  0.0  1.0
  Ni  Ni6  1  0.67  0.92  0.28  1.0
  Ni  Ni7  1  0.37  0.92  0.45  1.0
  Ge  Ge8  1  0.06  0.97  0.6  1.0
  Ge  Ge9  1  0.76  0.97  0.58  1.0
  Ge  Ge10  1  0.53  0.92  0.85  1.0
  Ge  Ge11  1  0.83  0.92  0.87  1.0

data_ZrNiGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.89
_cell_length_b   6.6
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrNiGe
_chemical_formula_sum   'Zr4 Ni4 Ge4'
_cell_volume   191.29
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Zr0  2  0.03  0.33  0.68  1.0
  Zr  Zr1  2  0.03  0.63  0.6  1.0
  Ni  Ni2  2  0.03  0.13  0.45  1.0
  Ni  Ni3  2  0.03  0.42  0.28  1.0
  Ge  Ge4  2  0.03  0.26  0.87  1.0
  Ge  Ge5  2  0.03  0.97  0.85  1.0

Zr Zr Zr Zr Ni Ni Ni Ni Ge Ge Ge Ge
Zr Zr Zr Zr Ni Ni Ni Ni Ge Ge Ge Ge 0 8 o o o 0 7 o o o 1 7 o o o 1 6 o o o 2 5 o o o 2 10 o o - 3 5 o o o 3 4 - o o 4 6 o o o 4 11 o o - 6 9 o o o 8 9 - o o 9 11 o o o 10 11 o o o 