data_[Cu9Cl11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [9.2495]
_cell_length_b [9.2495]
_cell_length_c [19.4335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Cu9Cl11]
_chemical_formula_sum '[Cu9 Cl11]'
_cell_volume [1439.8484]
_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  6  0.1561  0.5215  0.5170  1
  Cu  Cu1  2  0.3333  0.6667  0.4051  1
  Cu  Cu2  1  0.0000  0.0000  0.5248  1
  Cl  Cl3  6  0.0793  0.7392  0.5268  1
  Cl  Cl4  3  0.0000  0.5000  0.3891  1
  Cl  Cl5  2  0.3333  0.6667  0.6172  1
]