data_YTi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   134.34
_cell_angle_beta   134.34
_cell_angle_gamma   66.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Ge
_chemical_formula_sum   'Y1 Ti2 Ge1'
_cell_volume   76.91
_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  0.07  0.0  0.23  1.0
  Ti  Ti1  1  0.0  0.07  0.23  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.0  0.0  0.47  1.0

data_YTi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.35
_cell_angle_alpha   112.83
_cell_angle_beta   112.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Ge
_chemical_formula_sum   'Y1 Ti2 Ge1'
_cell_volume   76.91
_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  0.77  0.0  0.84  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.84  0.07  0.84  1.0
  Ge  Ge3  1  0.53  0.0  0.53  1.0

Y Ti Ti Ge