data_Ti2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.62
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   105.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GeAs
_chemical_formula_sum   'Ti2 Ge1 As1'
_cell_volume   65.97
_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  0.72  0.31  0.29  1.0
  Ti  Ti3  1  0.81  0.0  0.72  1.0
  Ge  Ge1  1  0.16  0.0  0.99  1.0
  As  As0  1  0.42  0.31  0.05  1.0

data_Ti2GeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.62
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   105.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GeAs
_chemical_formula_sum   'Ti2 Ge1 As1'
_cell_volume   65.97
_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  0.72  0.31  0.29  1.0
  Ti  Ti1  1  0.81  0.0  0.72  1.0
  Ge  Ge2  1  0.16  0.0  0.99  1.0
  As  As3  1  0.42  0.31  0.05  1.0

Ti Ti Ge As