data_[Al4Bi2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7081]
_cell_length_b [7.9476]
_cell_length_c [7.8928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2BiCl8]
_chemical_formula_sum '[Al4 Bi2 Cl16]'
_cell_volume [795.5059]
_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
[
  Al  Al0  4  0.1987  0.0000  0.6911  1.0
  Bi  Bi1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1121  0.2146  0.8001  1.0
  Cl  Cl3  4  0.1430  0.5000  0.2102  1.0
  Cl  Cl4  4  0.1750  0.0000  0.4234  1.0
]