data_[Cu4Ni2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9486]
_cell_length_b [7.5886]
_cell_length_c [5.9721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2NiCl8]
_chemical_formula_sum '[Cu4 Ni2 Cl16]'
_cell_volume [586.8167]
_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
[
  Cu  Cu0  4  0.1688  0.0000  0.4129  1.0
  Ni  Ni1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0732  0.2058  0.2181  1.0
  Cl  Cl3  4  0.1493  0.0000  0.7865  1.0
  Cl  Cl4  4  0.1656  0.5000  0.5679  1.0
]