data_[Hf4Sn4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6218]
_cell_length_b [4.3186]
_cell_length_c [5.4172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfSnRh]
_chemical_formula_sum '[Hf4 Sn4 Rh4]'
_cell_volume [242.5678]
_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  4  0.1449  0.0000  0.8115  1
  Sn  Sn1  4  0.0702  0.5000  0.2840  1
  Rh  Rh2  4  0.2144  0.0000  0.3094  1
]