data_[Mn2Pd12Pt4]
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 [C2/m]
_cell_length_a [7.3771]
_cell_length_b [4.6803]
_cell_length_c [8.1796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3814]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(Pd3Pt)2]
_chemical_formula_sum '[Mn2 Pd12 Pt4]'
_cell_volume [279.4016]
_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  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0024  0.0000  0.1733  1.0
  Pd  Pd2  4  0.1649  0.5000  0.6077  1.0
  Pd  Pd3  4  0.1662  0.5000  0.9427  1.0
  Pt  Pt4  4  0.1703  0.5000  0.2767  1.0
]