data_Ni3Se2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.23
_cell_length_c   8.76
_cell_angle_alpha   50.35
_cell_angle_beta   45.09
_cell_angle_gamma   84.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Se2
_chemical_formula_sum   'Ni6 Se4'
_cell_volume   152.62
_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
  Ni  Ni0  1  0.32  0.11  0.58  1.0
  Ni  Ni1  1  0.48  0.83  0.58  1.0
  Ni  Ni2  1  0.43  0.35  0.58  1.0
  Ni  Ni3  1  0.37  0.59  0.58  1.0
  Ni  Ni4  1  0.95  0.24  0.57  1.0
  Ni  Ni5  1  0.9  0.47  0.57  1.0
  Se  Se6  1  0.12  0.08  0.63  1.0
  Se  Se7  1  0.77  0.39  0.63  1.0
  Se  Se8  1  0.72  0.79  0.63  1.0
  Se  Se9  1  0.07  0.15  0.63  1.0

data_Ni3Se2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   6.23
_cell_length_c   6.77
_cell_angle_alpha   84.56
_cell_angle_beta   72.83
_cell_angle_gamma   71.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3Se2
_chemical_formula_sum   'Ni6 Se4'
_cell_volume   152.62
_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
  Ni  Ni0  1  0.05  0.2  0.52  1.0
  Ni  Ni1  1  0.1  0.96  0.47  1.0
  Ni  Ni2  1  0.52  0.59  0.06  1.0
  Ni  Ni3  1  0.57  0.07  0.01  1.0
  Ni  Ni4  1  0.63  0.83  0.95  1.0
  Ni  Ni5  1  0.68  0.31  0.9  1.0
  Se  Se6  1  0.23  0.98  0.41  1.0
  Se  Se7  1  0.28  0.58  0.36  1.0
  Se  Se8  1  0.88  0.28  0.76  1.0
  Se  Se9  1  0.93  0.22  0.71  1.0

Ni Ni Ni Ni Ni Ni Se Se Se Se