data_[Mg4Ga16Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.6175]
_cell_length_b [4.0430]
_cell_length_c [7.7027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mg(Ga2Pd)2]
_chemical_formula_sum '[Mg4 Ga16 Pd8]'
_cell_volume [486.3608]
_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  0.1472  0.7500  0.6057  1
  Ga  Ga1  4  0.0329  0.2500  0.3981  1
  Ga  Ga2  4  0.0660  0.7500  0.9831  1
  Ga  Ga3  4  0.1854  0.2500  0.2959  1
  Ga  Ga4  4  0.1928  0.2500  0.9022  1
  Pd  Pd5  4  0.0443  0.2500  0.7582  1
  Pd  Pd6  4  0.2276  0.7500  0.1039  1
]