data_[Hf4Ti4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9711]
_cell_length_b [4.4475]
_cell_length_c [5.5839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HfTiOs]
_chemical_formula_sum '[Hf4 Ti4 Os4]'
_cell_volume [205.5740]
_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
[
  Hf  Hf0  2  0.1179  0.0000  0.1758  1.0
  Hf  Hf1  2  0.4669  0.0000  0.6892  1.0
  Ti  Ti2  2  0.2724  0.5000  0.6731  1.0
  Ti  Ti3  2  0.4246  0.0000  0.1525  1.0
  Os  Os4  2  0.1257  0.0000  0.6772  1.0
  Os  Os5  2  0.2830  0.5000  0.1770  1.0
]