data_TiZn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Ge
_chemical_formula_sum   'Ti1 Zn2 Ge1'
_cell_volume   64.76
_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  Ti1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.31  0.08  0.48  1.0
  Zn  Zn3  1  0.31  0.92  0.48  1.0
  Ge  Ge0  1  0.63  0.0  0.0  1.0

data_TiZn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   115.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Ge
_chemical_formula_sum   'Ti1 Zn2 Ge1'
_cell_volume   64.76
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.48  0.31  0.08  1.0
  Zn  Zn2  1  0.48  0.31  0.92  1.0
  Ge  Ge3  1  0.0  0.63  0.0  1.0

Ti Zn Zn Ge