data_[Mg4Ga4Pd12]
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 [Cmcm]
_cell_length_a [4.3991]
_cell_length_b [15.8230]
_cell_length_c [4.3955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MgGaPd3]
_chemical_formula_sum '[Mg4 Ga4 Pd12]'
_cell_volume [305.9595]
_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  0.3516  0.7500  1
  Ga  Ga1  4  0.0000  0.1451  0.7500  1
  Pd  Pd2  4  0.0000  0.0587  0.2500  1
  Pd  Pd3  4  0.0000  0.2491  0.2500  1
  Pd  Pd4  4  0.0000  0.4409  0.2500  1
]