data_Y2SnGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   4.19
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SnGe
_chemical_formula_sum   'Y2 Sn1 Ge1'
_cell_volume   98.92
_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  Y2  1  0.72  0.1  0.21  1.0
  Y  Y3  1  0.72  0.1  0.64  1.0
  Sn  Sn1  1  0.0  0.0  0.43  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Y2SnGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.19
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SnGe
_chemical_formula_sum   'Y2 Sn1 Ge1'
_cell_volume   98.92
_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  0.72  0.1  0.21  1.0
  Y  Y1  1  0.72  0.1  0.64  1.0
  Sn  Sn2  1  0.0  0.0  0.43  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

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