data_Ti2OsRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   4.34
_cell_angle_alpha   106.11
_cell_angle_beta   106.11
_cell_angle_gamma   35.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2OsRh
_chemical_formula_sum   'Ti2 Os1 Rh1'
_cell_volume   61.51
_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  0.98  0.0  0.2  1.0
  Ti  Ti3  1  0.47  0.0  0.89  1.0
  Os  Os0  1  0.23  0.0  0.32  1.0
  Rh  Rh1  1  0.93  0.0  0.82  1.0

data_Ti2OsRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.34
_cell_length_c   5.07
_cell_angle_alpha   106.11
_cell_angle_beta   107.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2OsRh
_chemical_formula_sum   'Ti2 Os1 Rh1'
_cell_volume   61.51
_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  0.2  0.98  1.0
  Ti  Ti1  1  0.0  0.89  0.47  1.0
  Os  Os2  1  0.0  0.32  0.23  1.0
  Rh  Rh3  1  0.0  0.82  0.93  1.0

Ti Ti Os Rh
Ti Ti Os Rh 0 2 + o o 0 1 o o - 0 3 o o - 1 2 o o o 1 2 o o + 1 3 - o o 1 3 o o o 