data_[Hf2Mg10Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.4477]
_cell_length_b [13.2745]
_cell_length_c [6.2991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [HfMg5Rh6]
_chemical_formula_sum '[Hf2 Mg10 Rh12]'
_cell_volume [371.9035]
_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  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.0000  0.3303  0.0000  1
  Mg  Mg2  4  0.0000  0.3329  0.5000  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Rh  Rh4  8  0.0000  0.1652  0.2493  1
  Rh  Rh5  4  0.0000  0.5000  0.2495  1
]