data_[Nb3V8Sn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0521]
_cell_length_b [5.0521]
_cell_length_c [8.3591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Nb3V8Sn]
_chemical_formula_sum '[Nb3 V8 Sn1]'
_cell_volume [184.7736]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0579  1.0
  Nb  Nb1  1  0.6667  0.3333  0.5675  1.0
  Nb  Nb2  1  0.6667  0.3333  0.9371  1.0
  V  V3  3  0.1652  0.8348  0.7537  1.0
  V  V4  3  0.5030  0.0059  0.2446  1.0
  V  V5  1  0.3333  0.6667  0.0013  1.0
  V  V6  1  0.3333  0.6667  0.5059  1.0
  Sn  Sn7  1  0.0000  0.0000  0.4354  1.0
]