data_Ti2GeOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   34.95
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GeOs
_chemical_formula_sum   'Ti2 Ge1 Os1'
_cell_volume   63.54
_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  0.74  1.0
  Ti  Ti3  1  0.11  0.0  0.79  1.0
  Ge  Ge0  1  0.0  0.0  0.61  1.0
  Os  Os1  1  0.11  0.0  0.31  1.0

data_Ti2GeOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.21
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   107.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2GeOs
_chemical_formula_sum   'Ti2 Ge1 Os1'
_cell_volume   63.54
_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  0.21  0.11  0.21  1.0
  Ti  Ti1  1  0.26  0.0  0.26  1.0
  Ge  Ge2  1  0.39  0.0  0.39  1.0
  Os  Os3  1  0.69  0.11  0.69  1.0

Ti Ti Ge Os