data_[Cs2Y1Pb1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  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 [7.3345]
_cell_length_b [7.5938]
_cell_length_c [8.0692]
_cell_angle_alpha [116.4659]
_cell_angle_beta [106.7849]
_cell_angle_gamma [90.8779]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2YPbCl6]
_chemical_formula_sum '[Cs2 Y1 Pb1 Cl6]'
_cell_volume [379.7085]
_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  2  0.2781  0.7759  0.5499  1
  Y  Y1  1  0.5000  0.5000  0.0000  1
  Pb  Pb2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.2292  0.3256  0.6536  1
  Cl  Cl4  2  0.3161  0.3326  0.1500  1
  Cl  Cl5  2  0.3237  0.8156  0.1323  1
]