data_[Gd12Mg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [9.2776]
_cell_length_b [9.2776]
_cell_length_c [11.6888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Gd2Mg3]
_chemical_formula_sum '[Gd12 Mg18]'
_cell_volume [871.3036]
_cell_formula_units_Z [6]
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
[
  Gd  Gd0  12  0.0000  0.0000  0.1245  1
  Mg  Mg1  18  0.0000  0.3197  0.7500  1
]