data_InNiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.58
_cell_angle_alpha   108.99
_cell_angle_beta   108.99
_cell_angle_gamma   107.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNiSe2
_chemical_formula_sum   'In1 Ni1 Se2'
_cell_volume   82.2
_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
  In  In0  1  0.81  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.14  0.09  0.91  1.0
  Se  Se3  1  0.14  0.91  0.91  1.0

data_InNiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   107.38
_cell_angle_beta   108.99
_cell_angle_gamma   108.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNiSe2
_chemical_formula_sum   'In1 Ni1 Se2'
_cell_volume   82.2
_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
  In  In0  1  0.0  0.81  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.91  0.14  0.09  1.0
  Se  Se3  1  0.91  0.14  0.91  1.0

In Ni Se Se