data_Y2SiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   7.54
_cell_angle_alpha   107.99
_cell_angle_beta   107.99
_cell_angle_gamma   72.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SiGe
_chemical_formula_sum   'Y2 Si1 Ge1'
_cell_volume   94.23
_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  0.31  0.0  0.71  1.0
  Y  Y3  1  0.89  0.0  0.25  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.56  0.0  0.48  1.0

data_Y2SiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   7.32
_cell_angle_alpha   99.28
_cell_angle_beta   101.35
_cell_angle_gamma   107.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2SiGe
_chemical_formula_sum   'Y2 Si1 Ge1'
_cell_volume   94.23
_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  0.6  0.0  0.29  1.0
  Y  Y1  1  0.64  0.0  0.75  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.07  0.0  0.52  1.0

Y Y Si Ge