data_[Ni1Se2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6616]
_cell_length_b [7.0953]
_cell_length_c [9.0627]
_cell_angle_alpha [106.8334]
_cell_angle_beta [94.4000]
_cell_angle_gamma [95.2576]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni(SeCl3)2]
_chemical_formula_sum '[Ni1 Se2 Cl6]'
_cell_volume [284.0194]
_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
[
  Ni  Ni0  1  0.0000  0.5000  0.5000  1.0
  Se  Se1  2  0.3241  0.7147  0.6920  1.0
  Cl  Cl2  2  0.1002  0.9836  0.7173  1.0
  Cl  Cl3  2  0.2596  0.6709  0.9172  1.0
  Cl  Cl4  2  0.2974  0.6135  0.3666  1.0
]