data_[Y4Hf4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3810]
_cell_length_b [3.8061]
_cell_length_c [7.6276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YHfRh]
_chemical_formula_sum '[Y4 Hf4 Rh4]'
_cell_volume [271.0442]
_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
[
  Y  Y0  4  0.0832  0.5000  0.8550  1.0
  Hf  Hf1  4  0.1687  0.0000  0.5720  1.0
  Rh  Rh2  4  0.1483  0.0000  0.1986  1.0
]