data_NbV2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   142.53
_cell_angle_beta   129.48
_cell_angle_gamma   64.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2Sn
_chemical_formula_sum   'Nb1 V2 Sn1'
_cell_volume   65.74
_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  0.0  0.0  0.68  1.0
  V  V2  1  0.0  0.0  0.58  1.0
  V  V3  1  0.0  0.23  0.11  1.0
  Sn  Sn1  1  0.67  0.0  0.26  1.0

data_NbV2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.45
_cell_length_c   5.22
_cell_angle_alpha   115.26
_cell_angle_beta   108.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2Sn
_chemical_formula_sum   'Nb1 V2 Sn1'
_cell_volume   65.74
_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  0.0  0.68  0.68  1.0
  V  V1  1  0.0  0.58  0.58  1.0
  V  V2  1  0.77  0.89  0.89  1.0
  Sn  Sn3  1  0.0  0.26  0.58  1.0

Nb V V Sn