data_[Nb2Al4Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [14.0901]
_cell_length_b [4.0306]
_cell_length_c [6.3742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb(AlPt4)2]
_chemical_formula_sum '[Nb2 Al4 Pt16]'
_cell_volume [340.9042]
_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
[
  Nb  Nb0  2  0.0000  0.5000  0.0000  1
  Al  Al1  4  0.2176  0.0000  0.6495  1
  Pt  Pt2  4  0.0424  0.0000  0.7258  1
  Pt  Pt3  4  0.1087  0.5000  0.4595  1
  Pt  Pt4  4  0.1454  0.0000  0.1982  1
  Pt  Pt5  4  0.1800  0.5000  0.9306  1
]