data_[Cu5Cl9]
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 [P6mm]
_cell_length_a [8.2883]
_cell_length_b [8.2883]
_cell_length_c [18.2082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Cu5Cl9]
_chemical_formula_sum '[Cu5 Cl9]'
_cell_volume [1083.2539]
_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  3  0.0000  0.5000  0.5444  1
  Cu  Cu1  2  0.3333  0.6667  0.3908  1
  Cl  Cl2  6  0.1996  0.3991  0.5670  1
  Cl  Cl3  3  0.0000  0.5000  0.3945  1
]