data_YGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe2
_chemical_formula_sum   'Y4 Ge8'
_cell_volume   255.66
_cell_formula_units_Z   4
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  Y8  1  0.76  0.6  0.5  1.0
  Y  Y9  1  0.0  0.19  0.67  1.0
  Y  Y10  1  0.0  0.19  0.16  1.0
  Y  Y11  1  0.76  0.6  1.0  1.0
  Ge  Ge0  1  0.0  0.0  0.83  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.35  0.97  0.25  1.0
  Ge  Ge3  1  0.41  0.82  0.42  1.0
  Ge  Ge4  1  0.65  0.97  0.25  1.0
  Ge  Ge5  1  0.0  0.63  0.25  1.0
  Ge  Ge6  1  0.76  0.16  0.42  1.0
  Ge  Ge7  1  0.11  0.82  0.42  1.0

data_YGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe2
_chemical_formula_sum   'Y4 Ge8'
_cell_volume   255.66
_cell_formula_units_Z   4
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  0.19  0.16  1.0
  Y  Y1  1  0.0  0.19  0.67  1.0
  Y  Y2  1  0.76  0.6  0.5  1.0
  Y  Y3  1  0.76  0.6  1.0  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Ge  Ge5  1  0.0  0.0  0.83  1.0
  Ge  Ge6  1  0.0  0.63  0.25  1.0
  Ge  Ge7  1  0.11  0.82  0.42  1.0
  Ge  Ge8  1  0.35  0.97  0.25  1.0
  Ge  Ge9  1  0.41  0.82  0.42  1.0
  Ge  Ge10  1  0.65  0.97  0.25  1.0
  Ge  Ge11  1  0.76  0.16  0.42  1.0

Y Y Y Y Ge Ge Ge Ge Ge Ge Ge Ge
Y Y Y Y Ge Ge Ge Ge Ge Ge Ge Ge 0 11 + o o 1 4 o o o 2 8 - - o 2 5 o o o 3 5 + + + 4 5 o o + 6 11 o o o 6 9 o o o 6 7 o o o 6 8 o o o 7 11 o o o 7 8 o o o 7 10 o + o 8 10 o + o 9 11 o o o 