data_[Mg2Pd3Pt3]
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 [Pmmm]
_cell_length_a [3.9615]
_cell_length_b [4.0144]
_cell_length_c [7.8652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Mg2(PdPt)3]
_chemical_formula_sum '[Mg2 Pd3 Pt3]'
_cell_volume [125.0803]
_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  2  0.0000  0.0000  0.2503  1.0
  Pd  Pd1  1  0.0000  0.5000  0.5000  1.0
  Pd  Pd2  1  0.5000  0.0000  0.0000  1.0
  Pd  Pd3  1  0.5000  0.0000  0.5000  1.0
  Pt  Pt4  2  0.5000  0.5000  0.2503  1.0
  Pt  Pt5  1  0.0000  0.5000  0.0000  1.0
]