data_[Hf16Re2Rh4]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7218]
_cell_length_b [4.6970]
_cell_length_c [6.1719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8ReRh2]
_chemical_formula_sum '[Hf16 Re2 Rh4]'
_cell_volume [449.3148]
_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  0.0312  0.0000  0.7538  1.0
  Hf  Hf1  4  0.0879  0.5000  0.4440  1.0
  Hf  Hf2  4  0.1662  0.5000  0.9557  1.0
  Hf  Hf3  4  0.1876  0.0000  0.3131  1.0
  Re  Re4  2  0.0000  0.5000  0.0000  1.0
  Rh  Rh5  4  0.2061  0.0000  0.7291  1.0
]