data_[Hf12Si12Os12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.4163]
_cell_length_b [11.4865]
_cell_length_c [6.6682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [HfSiOs]
_chemical_formula_sum '[Hf12 Si12 Os12]'
_cell_volume [568.0473]
_cell_formula_units_Z [12]
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  4  0.2500  0.1978  0.2947  1.0
  Hf  Hf1  4  0.2500  0.5031  0.4166  1.0
  Hf  Hf2  4  0.2500  0.7204  0.7718  1.0
  Si  Si3  8  0.0061  0.1674  0.9952  1.0
  Si  Si4  4  0.2500  0.5258  0.0060  1.0
  Os  Os5  8  0.0271  0.1244  0.6214  1.0
  Os  Os6  4  0.0000  0.0000  0.2498  1.0
]