data_[Mg4Cu6Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.7534]
_cell_length_b [13.8450]
_cell_length_c [4.4298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg2Cu3Pd8]
_chemical_formula_sum '[Mg4 Cu6 Pd16]'
_cell_volume [414.1899]
_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  0.2235  0.5000  1
  Cu  Cu1  4  0.1883  0.5000  0.0000  1
  Cu  Cu2  2  0.0000  0.0000  0.5000  1
  Pd  Pd3  8  0.2003  0.3952  0.5000  1
  Pd  Pd4  4  0.0000  0.1121  0.0000  1
  Pd  Pd5  4  0.0000  0.3300  0.0000  1
]