data_[Ni2Cl2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7439]
_cell_length_b [6.1498]
_cell_length_c [6.3365]
_cell_angle_alpha [116.7901]
_cell_angle_beta [101.2246]
_cell_angle_gamma [90.6186]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NiClO2]
_chemical_formula_sum '[Ni2 Cl2 O4]'
_cell_volume [126.9286]
_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  2  0.3051  0.4784  0.7239  1
  Cl  Cl1  2  0.2845  0.7437  0.5362  1
  O  O2  2  0.0860  0.7080  0.0068  1
  O  O3  2  0.2478  0.3529  0.9848  1
]