data_[Mg4Pd10Au10]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1433]
_cell_length_b [4.0814]
_cell_length_c [9.0063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg2(PdAu)5]
_chemical_formula_sum '[Mg4 Pd10 Au10]'
_cell_volume [399.9845]
_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  0.0837  0.0000  0.7470  1.0
  Pd  Pd1  4  0.1659  0.0000  0.4991  1.0
  Pd  Pd2  4  0.2461  0.5000  0.7477  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.0861  0.5000  0.2535  1.0
  Au  Au5  4  0.1663  0.5000  0.0007  1.0
  Au  Au6  2  0.0000  0.5000  0.5000  1.0
]