data_[Mg10Ag12Pd2]
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 [Immm]
_cell_length_a [4.3200]
_cell_length_b [7.6363]
_cell_length_c [13.0890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg5Ag6Pd]
_chemical_formula_sum '[Mg10 Ag12 Pd2]'
_cell_volume [431.7880]
_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  0.0000  0.0000  0.3254  1
  Mg  Mg1  4  0.0000  0.5000  0.3525  1
  Mg  Mg2  2  0.0000  0.5000  0.0000  1
  Ag  Ag3  8  0.0000  0.2558  0.1668  1
  Ag  Ag4  4  0.0000  0.2328  0.5000  1
  Pd  Pd5  2  0.0000  0.0000  0.0000  1
]