data_[Ba1Sn2Pb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6114]
_cell_length_b [6.9324]
_cell_length_c [9.2180]
_cell_angle_alpha [90.3618]
_cell_angle_beta [90.2557]
_cell_angle_gamma [91.1886]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaSn2PbCl8]
_chemical_formula_sum '[Ba1 Sn2 Pb1 Cl8]'
_cell_volume [422.3820]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  2  0.4942  0.5130  0.7568  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2058  0.2004  0.7640  1.0
  Cl  Cl4  2  0.2564  0.1424  0.2391  1.0
  Cl  Cl5  2  0.2742  0.6729  0.9607  1.0
  Cl  Cl6  2  0.2848  0.6541  0.5382  1.0
]