data_Ti2CrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.09
_cell_angle_alpha   114.88
_cell_angle_beta   114.88
_cell_angle_gamma   46.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrGe
_chemical_formula_sum   'Ti2 Cr1 Ge1'
_cell_volume   57.73
_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  0.75  0.0  0.67  1.0
  Ti  Ti3  1  0.01  0.0  0.97  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.38  0.0  0.82  1.0

data_Ti2CrGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.09
_cell_length_c   4.69
_cell_angle_alpha   114.88
_cell_angle_beta   113.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrGe
_chemical_formula_sum   'Ti2 Cr1 Ge1'
_cell_volume   57.73
_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  0.67  0.75  1.0
  Ti  Ti1  1  0.0  0.97  0.01  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.82  0.38  1.0

Ti Ti Cr Ge