data_Ti2CoGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   144.53
_cell_angle_beta   133.47
_cell_angle_gamma   59.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoGe
_chemical_formula_sum   'Ti2 Co1 Ge1'
_cell_volume   57.36
_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  0.0  0.0  0.02  1.0
  Ti  Ti3  1  0.57  0.0  0.4  1.0
  Co  Co0  1  0.0  0.0  0.52  1.0
  Ge  Ge1  1  0.0  0.04  0.0  1.0

data_Ti2CoGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.08
_cell_length_c   5.16
_cell_angle_alpha   113.26
_cell_angle_beta   107.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoGe
_chemical_formula_sum   'Ti2 Co1 Ge1'
_cell_volume   57.36
_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  0.02  0.02  1.0
  Ti  Ti1  1  0.0  0.4  0.83  1.0
  Co  Co2  1  0.0  0.52  0.52  1.0
  Ge  Ge3  1  0.96  0.96  0.96  1.0

Ti Ti Co Ge