data_[Nb9Fe24Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8081]
_cell_length_b [4.8081]
_cell_length_c [23.5207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nb3Fe8Pt]
_chemical_formula_sum '[Nb9 Fe24 Pt3]'
_cell_volume [470.9042]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3766  1.0
  Nb  Nb1  3  0.0000  0.0000  0.5030  1.0
  Nb  Nb2  3  0.0000  0.0000  0.9954  1.0
  Fe  Fe3  9  0.0008  0.5004  0.9382  1.0
  Fe  Fe4  9  0.1667  0.3334  0.7706  1.0
  Fe  Fe5  3  0.0000  0.0000  0.1869  1.0
  Fe  Fe6  3  0.0000  0.0000  0.6881  1.0
  Pt  Pt7  3  0.0000  0.0000  0.8735  1.0
]