data_[Hf16Re4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Re  1.9000  1.3500  0.7125
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9135]
_cell_length_b [4.5663]
_cell_length_c [6.5116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8Re2Os]
_chemical_formula_sum '[Hf16 Re4 Os2]'
_cell_volume [449.3740]
_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
[
  Hf  Hf0  4  0.0204  0.0000  0.7644  1.0
  Hf  Hf1  4  0.0976  0.5000  0.4549  1.0
  Hf  Hf2  4  0.1636  0.5000  0.9437  1.0
  Hf  Hf3  4  0.1978  0.0000  0.2864  1.0
  Re  Re4  4  0.1824  0.0000  0.6882  1.0
  Os  Os5  2  0.0000  0.5000  0.0000  1.0
]