data_[Mg16In16Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [9.0525]
_cell_length_b [9.1737]
_cell_length_c [12.7025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [MgInPd]
_chemical_formula_sum '[Mg16 In16 Pd16]'
_cell_volume [1054.8671]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.3749  1.0
  In  In1  16  0.0000  0.0000  0.1285  1.0
  Pd  Pd2  16  0.0027  0.2500  0.7500  1.0
]