data_YFe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   4.39
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   95.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Ge
_chemical_formula_sum   'Y1 Fe2 Ge1'
_cell_volume   71.05
_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  0.41  0.0  0.46  1.0
  Fe  Fe0  1  0.13  0.2  0.92  1.0
  Fe  Fe1  1  0.68  0.2  0.0  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_YFe2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.39
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   95.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Ge
_chemical_formula_sum   'Y1 Fe2 Ge1'
_cell_volume   71.05
_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  0.41  0.0  0.46  1.0
  Fe  Fe1  1  0.13  0.2  0.92  1.0
  Fe  Fe2  1  0.68  0.2  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Y Fe Fe Ge
Y Fe Fe Ge 0 3 o o o 0 3 o o + 0 3 + o o 0 3 + o + 0 1 o o - 0 1 o o o 0 1 + o o 0 2 - o o 0 2 o o o 0 2 o o + 0 0 + o o 1 3 o o + 1 2 - o + 2 3 + o o 