data_YGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe
_chemical_formula_sum   'Y2 Ge2'
_cell_volume   98.01
_cell_formula_units_Z   2
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  0.3  0.35  0.36  1.0
  Y  Y3  1  0.3  0.65  0.5  1.0
  Ge  Ge0  1  0.3  0.35  0.65  1.0
  Ge  Ge1  1  0.3  0.65  0.21  1.0

data_YGe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.31
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YGe
_chemical_formula_sum   'Y2 Ge2'
_cell_volume   98.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.35  0.93  1.0
  Ge  Ge1  2  0.0  0.35  0.22  1.0

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