data_Y3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   14.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   138.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Ge4
_chemical_formula_sum   'Y6 Ge8'
_cell_volume   314.13
_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  Y8  1  0.04  0.19  0.78  1.0
  Y  Y9  1  0.04  0.81  0.95  1.0
  Y  Y10  1  0.04  0.19  0.39  1.0
  Y  Y11  1  0.04  0.81  0.56  1.0
  Y  Y12  1  0.04  0.13  0.58  1.0
  Y  Y13  1  0.04  0.87  0.75  1.0
  Ge  Ge0  1  0.04  0.71  0.73  1.0
  Ge  Ge1  1  0.04  0.29  0.56  1.0
  Ge  Ge2  1  0.04  0.71  0.78  1.0
  Ge  Ge3  1  0.04  0.29  0.61  1.0
  Ge  Ge4  1  0.0  0.0  0.17  1.0
  Ge  Ge5  1  0.0  0.0  0.0  1.0
  Ge  Ge6  1  0.04  0.94  0.58  1.0
  Ge  Ge7  1  0.04  0.06  0.75  1.0

data_Y3Ge4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   5.74
_cell_length_c   14.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Ge4
_chemical_formula_sum   'Y6 Ge8'
_cell_volume   314.13
_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  Y0  1  0.13  0.17  0.75  1.0
  Y  Y1  1  0.19  0.23  0.56  1.0
  Y  Y2  1  0.19  0.23  0.95  1.0
  Y  Y3  1  0.81  0.86  0.39  1.0
  Y  Y4  1  0.81  0.86  0.78  1.0
  Y  Y5  1  0.87  0.91  0.58  1.0
  Ge  Ge6  1  0.0  0.0  0.0  1.0
  Ge  Ge7  1  0.0  0.0  0.17  1.0
  Ge  Ge8  1  0.06  0.1  0.58  1.0
  Ge  Ge9  1  0.29  0.33  0.73  1.0
  Ge  Ge10  1  0.29  0.33  0.78  1.0
  Ge  Ge11  1  0.71  0.75  0.56  1.0
  Ge  Ge12  1  0.71  0.75  0.61  1.0
  Ge  Ge13  1  0.94  0.98  0.75  1.0

Y Y Y Y Y Y Ge Ge Ge Ge Ge Ge Ge Ge