data_[Ba4Ti4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.9328]
_cell_length_b [3.1307]
_cell_length_c [4.1699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTiOs]
_chemical_formula_sum '[Ba4 Ti4 Os4]'
_cell_volume [309.7614]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0760  0.5000  0.8910  1
  Ti  Ti1  4  0.1962  0.5000  0.4619  1
  Os  Os2  4  0.2057  0.0000  0.9677  1
]