data_Y2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   142.18
_cell_angle_beta   137.68
_cell_angle_gamma   58.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SiGe
_chemical_formula_sum   'Y2 Si1 Ge1'
_cell_volume   89.89
_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  0.96  0.0  0.04  1.0
  Y  Y3  1  0.0  0.0  0.87  1.0
  Si  Si1  1  0.0  0.0  0.91  1.0
  Ge  Ge0  1  0.96  0.0  0.0  1.0

data_Y2SiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.36
_cell_length_c   6.03
_cell_angle_alpha   111.16
_cell_angle_beta   108.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SiGe
_chemical_formula_sum   'Y2 Si1 Ge1'
_cell_volume   89.89
_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  0.13  0.13  0.13  1.0
  Y  Y1  1  0.91  0.96  0.91  1.0
  Si  Si2  1  0.09  0.09  0.09  1.0
  Ge  Ge3  1  0.95  1.0  0.95  1.0

Y Y Si Ge
Y Y Si Ge 0 3 o o o 1 2 o o o 