data_[Ba2Cu4Sb2Cl16]
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
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1532]
_cell_length_b [7.4384]
_cell_length_c [9.2527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCu2SbCl8]
_chemical_formula_sum '[Ba2 Cu4 Sb2 Cl16]'
_cell_volume [698.7845]
_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  0.1511  0.5000  0.7657  1.0
  Sb  Sb2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0082  0.2420  0.7860  1.0
  Cl  Cl4  4  0.1952  0.5000  0.5317  1.0
  Cl  Cl5  4  0.2427  0.5000  0.9848  1.0
]