data_Y2ScGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   3.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScGe
_chemical_formula_sum   'Y2 Sc1 Ge1'
_cell_volume   100.61
_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  0.64  0.23  0.71  1.0
  Y  Y3  1  0.64  0.77  0.71  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.29  0.0  0.0  1.0

data_Y2ScGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   107.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ScGe
_chemical_formula_sum   'Y2 Sc1 Ge1'
_cell_volume   100.61
_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  0.71  0.64  0.23  1.0
  Y  Y1  1  0.71  0.64  0.77  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.29  0.0  1.0

Y Y Sc Ge