data_YFeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   134.78
_cell_angle_beta   134.78
_cell_angle_gamma   65.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeGe2
_chemical_formula_sum   'Y1 Fe1 Ge2'
_cell_volume   70.91
_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  0.0  0.01  0.19  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.01  0.0  0.19  1.0
  Ge  Ge2  1  0.0  0.0  0.39  1.0

data_YFeGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   5.23
_cell_angle_alpha   112.61
_cell_angle_beta   112.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFeGe2
_chemical_formula_sum   'Y1 Fe1 Ge2'
_cell_volume   70.91
_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  0.18  0.19  0.18  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.19  0.18  0.18  1.0
  Ge  Ge3  1  0.39  0.39  0.39  1.0

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