data_[Mg4Al2Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0609]
_cell_length_b [4.1131]
_cell_length_c [6.0805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2AlPd8]
_chemical_formula_sum '[Mg4 Al2 Pd16]'
_cell_volume [340.0693]
_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
[
  Mg  Mg0  4  0.2197  0.0000  0.6542  1
  Al  Al1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  4  0.0384  0.0000  0.7365  1
  Pd  Pd3  4  0.0933  0.5000  0.4483  1
  Pd  Pd4  4  0.1454  0.0000  0.1922  1
  Pd  Pd5  4  0.1734  0.5000  0.9141  1
]