data_[Mn4Al4Pt12]
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/c]
_cell_length_a [4.4759]
_cell_length_b [15.2039]
_cell_length_c [4.4766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnAlPt3]
_chemical_formula_sum '[Mn4 Al4 Pt12]'
_cell_volume [298.9095]
_cell_formula_units_Z [4]
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  0.0000  0.3512  0.7500  1
  Al  Al1  4  0.0000  0.1480  0.7500  1
  Pt  Pt2  4  0.0000  0.0610  0.2500  1
  Pt  Pt3  4  0.0000  0.2503  0.2500  1
  Pt  Pt4  4  0.0000  0.4406  0.2500  1
]