data_YSiGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   4.25
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   94.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiGe2
_chemical_formula_sum   'Y1 Si1 Ge2'
_cell_volume   85.38
_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  Y3  1  0.7  0.12  0.95  1.0
  Si  Si2  1  0.52  0.0  0.83  1.0
  Ge  Ge0  1  0.72  0.0  0.26  1.0
  Ge  Ge1  1  0.42  0.12  0.37  1.0

data_YSiGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.25
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   94.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiGe2
_chemical_formula_sum   'Y1 Si1 Ge2'
_cell_volume   85.38
_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  0.7  0.12  0.95  1.0
  Si  Si1  1  0.52  0.0  0.83  1.0
  Ge  Ge2  1  0.42  0.12  0.37  1.0
  Ge  Ge3  1  0.72  0.0  0.26  1.0

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