data_TiAsOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.83
_cell_angle_alpha   98.53
_cell_angle_beta   98.53
_cell_angle_gamma   37.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAsOs2
_chemical_formula_sum   'Ti1 As1 Os2'
_cell_volume   60.2
_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  0.0  0.0  0.0  1.0
  As  As0  1  0.92  0.0  0.38  1.0
  Os  Os1  1  0.67  0.0  0.57  1.0
  Os  Os2  1  0.17  0.0  0.19  1.0

data_TiAsOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.54
_cell_length_c   4.83
_cell_angle_alpha   98.53
_cell_angle_beta   90.0
_cell_angle_gamma   108.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAsOs2
_chemical_formula_sum   'Ti1 As1 Os2'
_cell_volume   60.2
_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  0.0  0.0  1.0
  As  As1  1  0.0  0.08  0.62  1.0
  Os  Os2  1  0.0  0.33  0.43  1.0
  Os  Os3  1  0.0  0.83  0.81  1.0

Ti As Os Os