data_[Mn2Al4Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9332]
_cell_length_b [4.0111]
_cell_length_c [6.2995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(AlPt4)2]
_chemical_formula_sum '[Mn2 Al4 Pt16]'
_cell_volume [334.3611]
_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  0.5000  0.0000  1
  Al  Al1  4  0.2214  0.0000  0.6519  1
  Pt  Pt2  4  0.0456  0.0000  0.7280  1
  Pt  Pt3  4  0.1003  0.5000  0.4629  1
  Pt  Pt4  4  0.1482  0.0000  0.2120  1
  Pt  Pt5  4  0.1783  0.5000  0.9317  1
]