data_[Mn4Pd2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.3022]
_cell_length_b [8.3022]
_cell_length_c [3.9943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Mn2PdPt6]
_chemical_formula_sum '[Mn4 Pd2 Pt12]'
_cell_volume [275.3190]
_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
[
  Mn  Mn0  4  0.1642  0.8358  0.5000  1
  Pd  Pd1  2  0.0000  0.0000  0.0000  1
  Pt  Pt2  8  0.0095  0.3325  0.0000  1
  Pt  Pt3  4  0.1679  0.1679  0.5000  1
]