data_[Mg16Pd4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9727]
_cell_length_b [4.5433]
_cell_length_c [6.6295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg8Pd2Pt]
_chemical_formula_sum '[Mg16 Pd4 Pt2]'
_cell_volume [415.2184]
_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  0.0240  0.0000  0.7640  1.0
  Mg  Mg1  4  0.1106  0.5000  0.4370  1.0
  Mg  Mg2  4  0.1661  0.5000  0.9248  1.0
  Mg  Mg3  4  0.1786  0.0000  0.2455  1.0
  Pd  Pd4  4  0.1878  0.0000  0.6696  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]