data_[Cu2H28C8Br8N4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.3706]
_cell_length_b [7.9580]
_cell_length_c [7.4714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CuH14C4Br4(NCl)2]
_chemical_formula_sum '[Cu2 H28 C8 Br8 N4 Cl4]'
_cell_volume [708.0899]
_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  2  0.0000  0.0000  0.0000  1
  H  H1  4  0.1478  0.0369  0.6705  1
  H  H2  4  0.1523  0.6538  0.0703  1
  H  H3  4  0.1541  0.0253  0.4497  1
  H  H4  4  0.3281  0.2157  0.7594  1
  H  H5  4  0.3307  0.6042  0.2770  1
  H  H6  4  0.3366  0.6114  0.0413  1
  H  H7  4  0.3437  0.2024  0.5306  1
  C  C8  4  0.3079  0.5375  0.1436  1
  C  C9  4  0.3592  0.1366  0.6639  1
  Br  Br10  4  0.0343  0.2278  0.7780  1
  Br  Br11  4  0.2008  0.5487  0.6047  1
  N  N12  4  0.1829  0.5307  0.0797  1
  Cl  Cl13  4  0.4925  0.6157  0.7449  1
]