data_[Ni2H2Cl2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.7381]
_cell_length_b [3.3227]
_cell_length_c [6.1022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiHClO]
_chemical_formula_sum '[Ni2 H2 Cl2 O2]'
_cell_volume [104.3488]
_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  0.0228  0.5000  0.3826  1
  H  H1  2  0.3561  0.0000  0.7211  1
  Cl  Cl2  2  0.2277  0.5000  0.1074  1
  O  O3  2  0.2643  0.0000  0.5425  1
]