data_Ti2AgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   148.0
_cell_angle_beta   129.3
_cell_angle_gamma   61.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AgGe
_chemical_formula_sum   'Ti2 Ag1 Ge1'
_cell_volume   67.08
_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
  Ti  Ti2  1  0.51  0.0  0.01  1.0
  Ti  Ti3  1  0.0  0.0  0.11  1.0
  Ag  Ag0  1  0.51  0.0  0.64  1.0
  Ge  Ge1  1  0.0  0.0  0.4  1.0

data_Ti2AgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.7
_cell_length_c   5.49
_cell_angle_alpha   115.35
_cell_angle_beta   106.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AgGe
_chemical_formula_sum   'Ti2 Ag1 Ge1'
_cell_volume   67.08
_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
  Ti  Ti0  1  0.0  0.01  0.5  1.0
  Ti  Ti1  1  0.0  0.11  0.11  1.0
  Ag  Ag2  1  0.0  0.64  0.13  1.0
  Ge  Ge3  1  0.0  0.4  0.4  1.0

Ti Ti Ag Ge