data_YNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   60.23
_cell_angle_beta   60.23
_cell_angle_gamma   60.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNi2Ge
_chemical_formula_sum   'Y1 Ni2 Ge1'
_cell_volume   60.79
_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  0.0  0.0  0.39  1.0
  Ni  Ni1  1  0.0  0.0  0.5  1.0
  Ni  Ni2  1  0.0  0.0  0.28  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_YNi2Ge
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   4.42
_cell_length_b   6.24
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   YNi2Ge
_chemical_formula_sum   'Y2 Ni4 Ge2'
_cell_volume   121.58
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.0  0.0  0.61  1.0
  Ni  Ni1  2  0.0  0.0  0.5  1.0
  Ni  Ni2  2  0.0  0.0  0.72  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Y Ni Ni Ge