data_Cs_Pb_Cl3_Orth _audit_creation_date 2022-05-24 _audit_creation_method 'Materials Studio' _symmetry_space_group_name_H-M 'PBNM' _symmetry_Int_Tables_number 62 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/2,-y+1/2,-z -x,-y,z+1/2 -x+1/2,y+1/2,-z+1/2 -x,-y,-z -x+1/2,y+1/2,z x,y,-z+1/2 x+1/2,-y+1/2,z+1/2 _cell_length_a 7.8565 _cell_length_b 7.9536 _cell_length_c 11.0290 _cell_angle_alpha 90.0000 _cell_angle_beta 90.0000 _cell_angle_gamma 90.0000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb Pb 0.50000 0.00000 0.00000 1.00 Cs Cs 0.98032 0.95097 0.25000 1.00 Cl1 Cl 0.10169 0.53544 0.25000 1.00 Cl2 Cl 0.78432 0.21676 0.04335 1.00