data_TiGe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.7
_cell_angle_alpha   99.37
_cell_angle_beta   99.37
_cell_angle_gamma   40.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGe2Mo
_chemical_formula_sum   'Ti1 Ge2 Mo1'
_cell_volume   64.75
_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  Ti3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.35  0.0  0.24  1.0
  Ge  Ge1  1  0.51  0.0  0.39  1.0
  Mo  Mo2  1  0.93  0.0  0.31  1.0

data_TiGe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.63
_cell_length_c   4.7
_cell_angle_alpha   99.37
_cell_angle_beta   90.0
_cell_angle_gamma   110.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGe2Mo
_chemical_formula_sum   'Ti1 Ge2 Mo1'
_cell_volume   64.75
_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
  Ge  Ge1  1  0.0  0.49  0.61  1.0
  Ge  Ge2  1  0.0  0.65  0.76  1.0
  Mo  Mo3  1  0.0  0.07  0.69  1.0

Ti Ge Ge Mo
Ti Ge Ge Mo 0 3 - o o 0 1 o o o 1 2 o o o 