data_NbV2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   2.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2Zn
_chemical_formula_sum   'Nb1 V2 Zn1'
_cell_volume   59.84
_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  0.82  0.0  0.0  1.0
  V  V1  1  0.41  0.93  0.28  1.0
  V  V2  1  0.41  0.07  0.28  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_NbV2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   111.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2Zn
_chemical_formula_sum   'Nb1 V2 Zn1'
_cell_volume   59.84
_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  0.82  0.0  1.0
  V  V1  1  0.28  0.41  0.93  1.0
  V  V2  1  0.28  0.41  0.07  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Nb V V Zn