data_[Ti16Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7454]
_cell_length_b [4.4827]
_cell_length_c [12.5689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti2Os]
_chemical_formula_sum '[Ti16 Os8]'
_cell_volume [369.2795]
_cell_formula_units_Z [8]
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  2  0.1591  0.7500  0.0184  1
  Ti  Ti1  2  0.1594  0.7500  0.5206  1
  Ti  Ti2  2  0.1644  0.2500  0.6525  1
  Ti  Ti3  2  0.1655  0.2500  0.8869  1
  Ti  Ti4  2  0.4799  0.7500  0.1940  1
  Ti  Ti5  2  0.4877  0.2500  0.3085  1
  Ti  Ti6  2  0.4949  0.2500  0.0693  1
  Ti  Ti7  2  0.4974  0.2500  0.5609  1
  Os  Os8  2  0.1603  0.2500  0.1401  1
  Os  Os9  2  0.1639  0.2500  0.4014  1
  Os  Os10  2  0.1696  0.7500  0.2731  1
  Os  Os11  2  0.1716  0.7500  0.7699  1
]