data_[Ti8Mo2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mo  2.1600  1.4500  0.7750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [4.2379]
_cell_length_b [5.9489]
_cell_length_c [8.9844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Ti4MoOs]
_chemical_formula_sum '[Ti8 Mo2 Os2]'
_cell_volume [226.5036]
_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  4  0.0150  0.7472  0.3675  1
  Ti  Ti1  4  0.4826  0.2500  0.6332  1
  Mo  Mo2  2  0.0000  0.0000  0.1202  1
  Os  Os3  2  0.5000  0.0000  0.8786  1
]