data_[Mg3Ga3Si2Pd1]
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
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.8082]
_cell_length_b [6.8082]
_cell_length_c [3.9455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Mg3Ga3Si2Pd]
_chemical_formula_sum '[Mg3 Ga3 Si2 Pd1]'
_cell_volume [158.3802]
_cell_formula_units_Z [1]
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  3  0.0000  0.4021  0.0000  1.0
  Ga  Ga1  3  0.0000  0.7433  0.5000  1.0
  Si  Si2  2  0.3333  0.6667  0.5000  1.0
  Pd  Pd3  1  0.0000  0.0000  0.0000  1.0
]