data_YSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Ge
_chemical_formula_sum   'Y1 Sn2 Ge1'
_cell_volume   100.39
_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  0.18  0.0  0.0  1.0
  Sn  Sn1  1  0.59  0.19  0.81  1.0
  Sn  Sn2  1  0.59  0.81  0.81  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_YSn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   108.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSn2Ge
_chemical_formula_sum   'Y1 Sn2 Ge1'
_cell_volume   100.39
_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  0.18  0.0  1.0
  Sn  Sn1  1  0.81  0.59  0.19  1.0
  Sn  Sn2  1  0.81  0.59  0.81  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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