data_[Mg16Ag4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1580]
_cell_length_b [4.6460]
_cell_length_c [6.8395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8Ag2Pd]
_chemical_formula_sum '[Mg16 Ag4 Pd2]'
_cell_volume [443.7337]
_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  0.0210  0.0000  0.7760  1.0
  Mg  Mg1  4  0.1065  0.5000  0.4302  1.0
  Mg  Mg2  4  0.1629  0.5000  0.9238  1.0
  Mg  Mg3  4  0.1807  0.0000  0.2433  1.0
  Ag  Ag4  4  0.1845  0.0000  0.6689  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]