data_YNb2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   2.97
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Ge
_chemical_formula_sum   'Y1 Nb2 Ge1'
_cell_volume   80.02
_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
  Y  Y3  1  0.49  0.49  0.66  1.0
  Nb  Nb1  1  0.49  0.49  0.88  1.0
  Nb  Nb2  1  0.0  0.0  0.13  1.0
  Ge  Ge0  1  0.0  0.0  0.96  1.0

data_YNb2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YNb2Ge
_chemical_formula_sum   'Y2 Nb4 Ge2'
_cell_volume   160.05
_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
  Y  Y0  2  0.49  0.0  0.66  1.0
  Nb  Nb1  2  0.0  0.0  0.13  1.0
  Nb  Nb2  2  0.49  0.0  0.88  1.0
  Ge  Ge3  2  0.0  0.0  0.96  1.0

Y Nb Nb Ge
Y Nb Nb Ge 0 1 o o o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 2 3 o o - 