data_[Mg2Ag6Pd12]
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 [P2_1/m]
_cell_length_a [8.9417]
_cell_length_b [4.0197]
_cell_length_c [8.9992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg(AgPd2)3]
_chemical_formula_sum '[Mg2 Ag6 Pd12]'
_cell_volume [323.4431]
_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  2  0.0578  0.2500  0.3861  1
  Ag  Ag1  2  0.2490  0.2500  0.9971  1
  Ag  Ag2  2  0.3455  0.7500  0.7959  1
  Ag  Ag3  2  0.4467  0.2500  0.5976  1
  Pd  Pd4  2  0.0458  0.7500  0.8985  1
  Pd  Pd5  2  0.1375  0.2500  0.6904  1
  Pd  Pd6  2  0.1522  0.7500  0.1964  1
  Pd  Pd7  2  0.2375  0.7500  0.4944  1
  Pd  Pd8  2  0.3485  0.2500  0.2973  1
  Pd  Pd9  2  0.4500  0.7500  0.0998  1
]