data_[Mg16Ga4Pd2]
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 [15.5079]
_cell_length_b [4.6591]
_cell_length_c [6.7601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8Ga2Pd]
_chemical_formula_sum '[Mg16 Ga4 Pd2]'
_cell_volume [445.5874]
_cell_formula_units_Z [2]
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  0.0208  0.0000  0.7871  1.0
  Mg  Mg1  4  0.1009  0.5000  0.4315  1.0
  Mg  Mg2  4  0.1608  0.5000  0.9269  1.0
  Mg  Mg3  4  0.1853  0.0000  0.2584  1.0
  Ga  Ga4  4  0.1796  0.0000  0.6737  1.0
  Pd  Pd5  2  0.0000  0.5000  0.0000  1.0
]