data_MgTi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.47
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   97.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2Ge
_chemical_formula_sum   'Mg1 Ti2 Ge1'
_cell_volume   68.19
_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
  Mg  Mg1  1  0.68  0.0  0.99  1.0
  Ti  Ti2  1  0.29  0.23  0.86  1.0
  Ti  Ti3  1  0.21  0.0  0.51  1.0
  Ge  Ge0  1  0.76  0.23  0.33  1.0

data_MgTi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.47
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   97.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2Ge
_chemical_formula_sum   'Mg1 Ti2 Ge1'
_cell_volume   68.19
_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
  Mg  Mg0  1  0.68  0.0  0.99  1.0
  Ti  Ti1  1  0.21  0.0  0.51  1.0
  Ti  Ti2  1  0.29  0.23  0.86  1.0
  Ge  Ge3  1  0.76  0.23  0.33  1.0

Mg Ti Ti Ge