data_YFe2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.02
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   103.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Ge
_chemical_formula_sum   'Y1 Fe2 Ge1'
_cell_volume   70.01
_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  0.9  0.01  0.78  1.0
  Fe  Fe0  1  0.18  0.0  0.54  1.0
  Fe  Fe1  1  0.88  0.01  0.12  1.0
  Ge  Ge2  1  0.54  0.0  0.41  1.0

data_YFe2Ge
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.33
_cell_length_b   4.02
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   103.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YFe2Ge
_chemical_formula_sum   'Y1 Fe2 Ge1'
_cell_volume   70.01
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.9  0.0  0.78  1.0
  Fe  Fe1  1  0.18  0.0  0.54  1.0
  Fe  Fe2  1  0.88  0.0  0.12  1.0
  Ge  Ge3  1  0.54  0.0  0.41  1.0

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