data_[Mg8In8Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [14.3129]
_cell_length_b [7.0729]
_cell_length_c [6.4984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Mg2In2Pd5]
_chemical_formula_sum '[Mg8 In8 Pd20]'
_cell_volume [657.8548]
_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  8  0.0888  0.0679  0.4701  1
  In  In1  4  0.0000  0.0000  0.0239  1
  In  In2  4  0.2500  0.0149  0.1664  1
  Pd  Pd3  8  0.0820  0.7400  0.2615  1
  Pd  Pd4  8  0.1581  0.1332  0.8208  1
  Pd  Pd5  4  0.2500  0.6466  0.0407  1
]