data_BaNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   6.72
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Ge
_chemical_formula_sum   'Ba2 Ni4 Ge2'
_cell_volume   168.17
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.0  0.36  0.73  1.0
  Ba  Ba1  1  0.08  0.0  0.29  1.0
  Ni  Ni4  1  0.08  0.47  0.45  1.0
  Ni  Ni5  1  0.08  0.25  0.45  1.0
  Ni  Ni6  1  0.0  0.11  0.57  1.0
  Ni  Ni7  1  0.0  0.61  0.57  1.0
  Ge  Ge2  1  0.0  0.0  0.39  1.0
  Ge  Ge3  1  0.08  0.36  0.64  1.0

data_BaNi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   6.02
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Ge
_chemical_formula_sum   'Ba2 Ni4 Ge2'
_cell_volume   168.17
_cell_formula_units_Z   2
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
  Ba  Ba0  1  -0.0  0.27  0.64  1.0
  Ba  Ba1  1  0.92  0.71  0.0  1.0
  Ni  Ni2  1  -0.0  0.43  0.39  1.0
  Ni  Ni3  1  -0.0  0.43  0.89  1.0
  Ni  Ni4  1  0.92  0.55  0.53  1.0
  Ni  Ni5  1  0.92  0.55  0.75  1.0
  Ge  Ge6  1  0.0  0.61  0.0  1.0
  Ge  Ge7  1  0.92  0.36  0.64  1.0

Ba Ba Ni Ni Ni Ni Ge Ge