data_Ni2Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.41
_cell_length_b   9.41
_cell_length_c   9.41
_cell_angle_alpha   18.5
_cell_angle_beta   18.5
_cell_angle_gamma   18.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Ge3
_chemical_formula_sum   'Ni2 Ge3'
_cell_volume   73.41
_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
  Ni  Ni3  1  0.0  0.0  0.7  1.0
  Ni  Ni4  1  0.0  0.0  0.06  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.74  1.0
  Ge  Ge2  1  0.0  0.0  0.01  1.0

data_Ni2Ge3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   3.03
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   100.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2Ge3
_chemical_formula_sum   'Ni4 Ge6'
_cell_volume   146.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ni  Ni0  2  0.0  0.0  0.3  1.0
  Ni  Ni1  2  0.0  0.0  0.94  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Ge  Ge3  2  0.0  0.0  0.26  1.0
  Ge  Ge4  2  0.0  0.0  0.99  1.0

Ni Ni Ge Ge Ge