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 [6.6973]
_cell_length_b [7.0728]
_cell_length_c [7.1366]
_cell_angle_alpha [62.5848]
_cell_angle_beta [89.3477]
_cell_angle_gamma [66.6509]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2CuPbCl6]
_chemical_formula_sum '[Na2 Cu1 Pb1 Cl6]'
_cell_volume [269.3718]
_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  0.4930  0.0528  0.4256  1
  Na  Na1  1  0.9485  0.0835  0.9322  1
  Cu  Cu2  1  0.6424  0.6906  0.0083  1
  Pb  Pb3  1  0.1868  0.6246  0.5458  1
  Cl  Cl4  1  0.0953  0.0958  0.2797  1
  Cl  Cl5  1  0.3022  0.1202  0.7571  1
  Cl  Cl6  1  0.4445  0.5242  0.2450  1
  Cl  Cl7  1  0.5840  0.5323  0.7985  1
  Cl  Cl8  1  0.7709  0.7847  0.2419  1
  Cl  Cl9  1  0.8709  0.8144  0.7810  1
]