data_TiTe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.35
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTe2Os
_chemical_formula_sum   'Ti1 Te2 Os1'
_cell_volume   75.29
_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
  Te  Te1  1  0.56  0.68  0.04  1.0
  Te  Te2  1  0.7  0.68  0.64  1.0
  Os  Os0  1  0.95  0.0  0.34  1.0

data_TiTe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.36
_cell_length_c   6.68
_cell_angle_alpha   90.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTe2Os
_chemical_formula_sum   'Ti1 Te2 Os1'
_cell_volume   75.29
_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
  Te  Te1  1  0.32  0.3  0.36  1.0
  Te  Te2  1  0.32  0.44  0.96  1.0
  Os  Os3  1  0.0  0.05  0.66  1.0

Ti Te Te Os