data_[Mg9Sb6Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4234]
_cell_length_b [5.4234]
_cell_length_c [28.3034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mg3(SbPd4)2]
_chemical_formula_sum '[Mg9 Sb6 Pd24]'
_cell_volume [720.9612]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1901  1
  Mg  Mg1  3  0.0000  0.0000  0.0000  1
  Sb  Sb2  6  0.0000  0.0000  0.3717  1
  Pd  Pd3  18  0.0030  0.5015  0.7788  1
  Pd  Pd4  6  0.0000  0.0000  0.2807  1
]