data_[Mg6Pd26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0290]
_cell_length_b [7.8003]
_cell_length_c [7.9581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg3Pd13]
_chemical_formula_sum '[Mg6 Pd26]'
_cell_volume [498.4035]
_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  0.2597  0.0000  0.0105  1
  Mg  Mg1  2  0.0000  0.0000  0.7276  1
  Pd  Pd2  8  0.2482  0.2451  0.7520  1
  Pd  Pd3  4  0.0000  0.2363  0.9947  1
  Pd  Pd4  4  0.2482  0.0000  0.4980  1
  Pd  Pd5  4  0.5000  0.2495  0.5006  1
  Pd  Pd6  2  0.0000  0.0000  0.2546  1
  Pd  Pd7  2  0.5000  0.0000  0.2528  1
  Pd  Pd8  2  0.5000  0.0000  0.7494  1
]