data_[Nb6V2Sn2]
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 [P-1]
_cell_length_a [5.4357]
_cell_length_b [5.4632]
_cell_length_c [7.2134]
_cell_angle_alpha [70.1080]
_cell_angle_beta [77.8547]
_cell_angle_gamma [63.8549]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nb3VSn]
_chemical_formula_sum '[Nb6 V2 Sn2]'
_cell_volume [180.3559]
_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  0.0573  0.2321  0.3819  1
  Nb  Nb1  2  0.3494  0.7510  0.8029  1
  Nb  Nb2  2  0.4259  0.2558  0.6005  1
  V  V3  2  0.2743  0.2513  0.9948  1
  Sn  Sn4  2  0.1522  0.7469  0.2093  1
]