data_YGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   5.89
_cell_angle_alpha   99.6
_cell_angle_beta   99.6
_cell_angle_gamma   37.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe
_chemical_formula_sum   'Y3 Ge3'
_cell_volume   145.37
_cell_formula_units_Z   3
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  Y3  1  0.68  0.0  0.72  1.0
  Y  Y4  1  0.56  0.0  0.39  1.0
  Y  Y5  1  0.99  0.0  0.48  1.0
  Ge  Ge0  1  0.41  0.0  0.23  1.0
  Ge  Ge1  1  0.99  0.0  0.65  1.0
  Ge  Ge2  1  0.31  0.0  0.83  1.0

data_YGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   5.89
_cell_length_c   6.41
_cell_angle_alpha   99.6
_cell_angle_beta   108.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGe
_chemical_formula_sum   'Y3 Ge3'
_cell_volume   145.37
_cell_formula_units_Z   3
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  0.39  0.56  1.0
  Y  Y1  1  0.0  0.48  0.99  1.0
  Y  Y2  1  0.0  0.72  0.68  1.0
  Ge  Ge3  1  0.0  0.23  0.41  1.0
  Ge  Ge4  1  0.0  0.65  0.99  1.0
  Ge  Ge5  1  0.0  0.83  0.31  1.0

Y Y Y Ge Ge Ge
Y Y Y Ge Ge Ge 0 1 o o o 0 4 o o o 0 5 o o o 1 3 o o o 2 4 o o o 2 5 + o o 3 5 o o - 4 5 + o o 