data_In2NiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.25
_cell_angle_alpha   100.03
_cell_angle_beta   100.03
_cell_angle_gamma   34.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiSe
_chemical_formula_sum   'In2 Ni1 Se1'
_cell_volume   82.18
_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  0.0  0.01  1.0
  In  In1  1  0.79  0.0  0.82  1.0
  Ni  Ni2  1  0.6  0.0  0.59  1.0
  Se  Se3  1  0.41  0.0  0.33  1.0

data_In2NiSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.25
_cell_length_c   5.32
_cell_angle_alpha   100.03
_cell_angle_beta   107.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiSe
_chemical_formula_sum   'In2 Ni1 Se1'
_cell_volume   82.18
_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  0.01  0.0  1.0
  In  In1  1  0.0  0.82  0.79  1.0
  Ni  Ni2  1  0.0  0.59  0.6  1.0
  Se  Se3  1  0.0  0.33  0.41  1.0

In In Ni Se