data_[Mg4Cd24Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.1904]
_cell_length_b [16.8865]
_cell_length_c [5.7192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Mg(Cd2Pd)3]
_chemical_formula_sum '[Mg4 Cd24 Pd12]'
_cell_volume [791.0192]
_cell_formula_units_Z [4]
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  0.2357  0.2367  1
  Cd  Cd1  8  0.1790  0.4749  0.9680  1
  Cd  Cd2  8  0.1918  0.8177  0.1466  1
  Cd  Cd3  4  0.0000  0.0207  0.7812  1
  Cd  Cd4  4  0.0000  0.3314  0.7615  1
  Pd  Pd5  8  0.1850  0.1199  0.1044  1
  Pd  Pd6  4  0.0000  0.3880  0.2971  1
]