data_[Mg2Cu10Pd12]
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 [4.2937]
_cell_length_b [12.8726]
_cell_length_c [6.0686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [MgCu5Pd6]
_chemical_formula_sum '[Mg2 Cu10 Pd12]'
_cell_volume [335.4198]
_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  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  4  0.0000  0.3328  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3355  0.5000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  8  0.0000  0.1691  0.2534  1.0
  Pd  Pd5  4  0.0000  0.5000  0.2542  1.0
]