data_[Mg36Zn18Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9184]
_cell_length_b [9.9184]
_cell_length_c [12.8171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Mg12Zn6Rh]
_chemical_formula_sum '[Mg36 Zn18 Rh3]'
_cell_volume [1091.9603]
_cell_formula_units_Z [3]
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  18  0.0242  0.1834  0.8268  1
  Mg  Mg1  18  0.0579  0.8476  0.4083  1
  Zn  Zn2  18  0.0375  0.4339  0.7054  1
  Rh  Rh3  3  0.0000  0.0000  0.0000  1
]