data_TiSnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.61
_cell_angle_alpha   101.48
_cell_angle_beta   101.48
_cell_angle_gamma   34.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnOs2
_chemical_formula_sum   'Ti1 Sn1 Os2'
_cell_volume   65.18
_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  Ti3  1  0.7  0.0  0.49  1.0
  Sn  Sn2  1  0.26  0.0  0.22  1.0
  Os  Os0  1  0.08  0.0  0.01  1.0
  Os  Os1  1  0.92  0.0  0.04  1.0

data_TiSnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.61
_cell_length_c   5.03
_cell_angle_alpha   101.48
_cell_angle_beta   107.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnOs2
_chemical_formula_sum   'Ti1 Sn1 Os2'
_cell_volume   65.18
_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  0.49  0.7  1.0
  Sn  Sn1  1  0.0  0.22  0.26  1.0
  Os  Os2  1  0.0  0.01  0.08  1.0
  Os  Os3  1  0.0  0.04  0.92  1.0

Ti Sn Os Os