data_[Na2Cu4Bi2Cl16]
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
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [8.9406]
_cell_length_b [8.9406]
_cell_length_c [8.0898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [NaCu2BiCl8]
_chemical_formula_sum '[Na2 Cu4 Bi2 Cl16]'
_cell_volume [646.6527]
_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
[
  Na  Na0  2  0.0000  0.5000  0.2500  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.7500  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  8  0.0000  0.1771  0.3026  1.0
  Cl  Cl5  8  0.0000  0.3112  0.9380  1.0
]