data_[Mg4Ga20Pd12]
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 [C2/m]
_cell_length_a [9.2342]
_cell_length_b [9.2688]
_cell_length_c [8.7135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgGa5Pd3]
_chemical_formula_sum '[Mg4 Ga20 Pd12]'
_cell_volume [708.0857]
_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  0.2469  0.0000  0.2473  1
  Ga  Ga1  8  0.0150  0.2664  0.3390  1
  Ga  Ga2  4  0.0000  0.2653  0.0000  1
  Ga  Ga3  4  0.2399  0.0000  0.5772  1
  Ga  Ga4  4  0.2414  0.0000  0.9163  1
  Pd  Pd5  4  0.0035  0.0000  0.6671  1
  Pd  Pd6  4  0.0111  0.5000  0.1690  1
  Pd  Pd7  2  0.0000  0.0000  0.0000  1
  Pd  Pd8  2  0.0000  0.5000  0.5000  1
]