data_[Cs1As1Pb2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  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 [6.7718]
_cell_length_b [6.8930]
_cell_length_c [9.2116]
_cell_angle_alpha [76.6743]
_cell_angle_beta [82.7788]
_cell_angle_gamma [81.5434]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAs(PbCl4)2]
_chemical_formula_sum '[Cs1 As1 Pb2 Cl8]'
_cell_volume [411.9650]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  As  As1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4714  0.4443  0.7508  1.0
  Cl  Cl3  2  0.1209  0.7269  0.2222  1.0
  Cl  Cl4  2  0.2223  0.8099  0.8256  1.0
  Cl  Cl5  2  0.2766  0.2001  0.0121  1.0
  Cl  Cl6  2  0.4046  0.2690  0.5254  1.0
]