data_[Ti2Os6]
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 [P6_3/mmc]
_cell_length_a [5.5442]
_cell_length_b [5.5442]
_cell_length_c [4.3843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [TiOs3]
_chemical_formula_sum '[Ti2 Os6]'
_cell_volume [116.7090]
_cell_formula_units_Z [2]
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  0.3333  0.6667  0.2500  1
  Os  Os1  6  0.1684  0.3369  0.7500  1
]