data_[Mn6Pd2Pt12]
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 [Pnnm]
_cell_length_a [9.4541]
_cell_length_b [12.0396]
_cell_length_c [2.8215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Mn3PdPt6]
_chemical_formula_sum '[Mn6 Pd2 Pt12]'
_cell_volume [321.1561]
_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  0.1373  0.8000  0.5000  1
  Mn  Mn1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0616  0.2895  0.0000  1
  Pt  Pt4  4  0.2210  0.4506  0.5000  1
  Pt  Pt5  4  0.2211  0.1371  0.5000  1
]