data_LaTi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.57
_cell_angle_alpha   102.88
_cell_angle_beta   102.88
_cell_angle_gamma   35.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2Ge
_chemical_formula_sum   'La1 Ti2 Ge1'
_cell_volume   83.14
_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
  La  La1  1  0.27  0.0  0.71  1.0
  Ti  Ti2  1  0.89  0.0  0.02  1.0
  Ti  Ti3  1  0.64  0.0  0.39  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_LaTi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.16
_cell_length_c   5.57
_cell_angle_alpha   102.88
_cell_angle_beta   90.0
_cell_angle_gamma   107.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2Ge
_chemical_formula_sum   'La1 Ti2 Ge1'
_cell_volume   83.14
_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
  La  La0  1  0.0  0.73  0.29  1.0
  Ti  Ti1  1  0.0  0.11  0.98  1.0
  Ti  Ti2  1  0.0  0.36  0.61  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

La Ti Ti Ge
La Ti Ti Ge 0 3 o o + 0 0 + - o 0 1 - o + 0 2 o o o 0 2 - o o 1 3 + o o 1 2 o o o 1 2 o o - 2 3 o o o 2 3 + o o 2 3 + o + 2 2 + - o 