data_[Na2Cu1Pb1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7063]
_cell_length_b [7.0785]
_cell_length_c [7.1434]
_cell_angle_alpha [62.5898]
_cell_angle_beta [89.3453]
_cell_angle_gamma [66.7137]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2CuPbCl6]
_chemical_formula_sum '[Na2 Cu1 Pb1 Cl6]'
_cell_volume [270.3981]
_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
[
  Na  Na0  1  0.4929  0.0527  0.4257  1.0
  Na  Na1  1  0.9485  0.0836  0.9322  1.0
  Cu  Cu2  1  0.6425  0.6903  0.0084  1.0
  Pb  Pb3  1  0.1868  0.6250  0.5454  1.0
  Cl  Cl4  1  0.0952  0.0958  0.2798  1.0
  Cl  Cl5  1  0.3023  0.1200  0.7573  1.0
  Cl  Cl6  1  0.4446  0.5242  0.2450  1.0
  Cl  Cl7  1  0.5841  0.5323  0.7986  1.0
  Cl  Cl8  1  0.7708  0.7847  0.2418  1.0
  Cl  Cl9  1  0.8708  0.8145  0.7810  1.0
]