data_V2NiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   34.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiSe
_chemical_formula_sum   'V2 Ni1 Se1'
_cell_volume   55.24
_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
  V  V2  1  0.0  0.0  0.69  1.0
  V  V3  1  0.66  0.0  0.97  1.0
  Ni  Ni0  1  0.0  0.0  0.84  1.0
  Se  Se1  1  0.66  0.0  0.44  1.0

data_V2NiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.32
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiSe
_chemical_formula_sum   'V2 Ni1 Se1'
_cell_volume   55.24
_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
  V  V0  1  0.03  0.66  0.03  1.0
  V  V1  1  0.31  0.0  0.31  1.0
  Ni  Ni2  1  0.16  0.0  0.16  1.0
  Se  Se3  1  0.56  0.66  0.56  1.0

V V Ni Se