data_[Mg12Cd4Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4275]
_cell_length_b [4.7032]
_cell_length_c [8.0614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3CdRh]
_chemical_formula_sum '[Mg12 Cd4 Rh4]'
_cell_volume [376.4872]
_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
[
  Mg  Mg0  4  0.0541  0.0000  0.3164  1
  Mg  Mg1  4  0.0779  0.5000  0.8780  1
  Mg  Mg2  4  0.2442  0.5000  0.2227  1
  Cd  Cd3  4  0.1495  0.5000  0.5539  1
  Rh  Rh4  4  0.1485  0.0000  0.0459  1
]