data_[Cu1N2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.4148]
_cell_length_b [4.3563]
_cell_length_c [12.6748]
_cell_angle_alpha [90.8021]
_cell_angle_beta [95.4146]
_cell_angle_gamma [109.5198]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu(NCl2)2]
_chemical_formula_sum '[Cu1 N2 Cl4]'
_cell_volume [176.7137]
_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
[
  Cu  Cu0  1  0.0000  0.0000  0.0000  1
  N  N1  2  0.3814  0.2346  0.3790  1
  Cl  Cl2  2  0.1923  0.5308  0.6538  1
  Cl  Cl3  2  0.4610  0.8263  0.1069  1
]