data_YAl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   3.07
_cell_angle_alpha   99.66
_cell_angle_beta   99.66
_cell_angle_gamma   118.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ge
_chemical_formula_sum   'Y1 Al2 Ge1'
_cell_volume   82.35
_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  0.89  0.0  0.0  1.0
  Al  Al0  1  0.94  0.54  0.45  1.0
  Al  Al1  1  0.94  0.46  0.45  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_YAl2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.58
_cell_length_c   5.7
_cell_angle_alpha   115.73
_cell_angle_beta   99.66
_cell_angle_gamma   101.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAl2Ge
_chemical_formula_sum   'Y1 Al2 Ge1'
_cell_volume   82.35
_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  Y0  1  0.0  0.0  0.89  1.0
  Al  Al1  1  0.9  0.46  0.4  1.0
  Al  Al2  1  0.99  0.54  0.48  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Y Al Al Ge
Y Al Al Ge 0 3 + o o 1 2 o o o 