data_[Ti16Mo4Os2]
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 [C2/m]
_cell_length_a [14.9709]
_cell_length_b [4.5836]
_cell_length_c [5.2264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7554]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Mo2Os]
_chemical_formula_sum '[Ti16 Mo4 Os2]'
_cell_volume [358.4728]
_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  0.0457  0.0000  0.7414  1.0
  Ti  Ti1  4  0.0856  0.5000  0.4348  1.0
  Ti  Ti2  4  0.1426  0.0000  0.2279  1.0
  Ti  Ti3  4  0.1774  0.5000  0.9300  1.0
  Mo  Mo4  4  0.2296  0.0000  0.6469  1.0
  Os  Os5  2  0.0000  0.5000  0.0000  1.0
]