data_[Hf2H2Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  H  2.2000  0.2500  0.0000
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.0722]
_cell_length_b [5.6027]
_cell_length_c [5.5979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [HfHRh3]
_chemical_formula_sum '[Hf2 H2 Rh6]'
_cell_volume [127.7184]
_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  1  0.5000  0.0000  0.1332  1.0
  Hf  Hf1  1  0.5000  0.5000  0.6238  1.0
  H  H2  1  0.0000  0.0000  0.0743  1.0
  H  H3  1  0.0000  0.5000  0.1305  1.0
  Rh  Rh4  2  0.0000  0.2491  0.3798  1.0
  Rh  Rh5  2  0.0000  0.2528  0.8707  1.0
  Rh  Rh6  1  0.5000  0.0000  0.6262  1.0
  Rh  Rh7  1  0.5000  0.5000  0.1263  1.0
]