data_VNi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.91
_cell_angle_alpha   106.17
_cell_angle_beta   106.17
_cell_angle_gamma   120.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2Se
_chemical_formula_sum   'V1 Ni2 Se1'
_cell_volume   52.58
_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  V3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.43  0.81  0.2  1.0
  Ni  Ni1  1  0.43  0.19  0.2  1.0
  Se  Se2  1  0.5  0.0  0.0  1.0

data_VNi2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.14
_cell_length_c   5.03
_cell_angle_alpha   113.79
_cell_angle_beta   106.17
_cell_angle_gamma   91.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi2Se
_chemical_formula_sum   'V1 Ni2 Se1'
_cell_volume   52.58
_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  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.02  0.81  0.25  1.0
  Ni  Ni2  1  0.39  0.19  0.62  1.0
  Se  Se3  1  0.0  0.0  0.5  1.0

V Ni Ni Se