data_[Nb6Sn9Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5939]
_cell_length_b [4.5939]
_cell_length_c [23.7687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nb2Sn3Pd2]
_chemical_formula_sum '[Nb6 Sn9 Pd6]'
_cell_volume [434.4127]
_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  0.2497  1
  Nb  Nb1  3  0.0000  0.0000  0.7504  1
  Sn  Sn2  3  0.0000  0.0000  0.1354  1
  Sn  Sn3  3  0.0000  0.0000  0.3737  1
  Sn  Sn4  3  0.0000  0.0000  0.6160  1
  Pd  Pd5  3  0.0000  0.0000  0.0006  1
  Pd  Pd6  3  0.0000  0.0000  0.4993  1
]