data_[Ba2Cu4Sn2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8498]
_cell_length_b [7.7480]
_cell_length_c [9.1423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCu2SnCl8]
_chemical_formula_sum '[Ba2 Cu4 Sn2 Cl16]'
_cell_volume [697.4688]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu1  4  0.0121  0.5000  0.6803  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0084  0.2302  0.2135  1.0
  Cl  Cl4  4  0.1777  0.5000  0.4996  1.0
  Cl  Cl5  4  0.2428  0.0000  0.0014  1.0
]