# generated using pymatgen data_Ce3As2ClO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62104440 _cell_length_b 12.91696338 _cell_length_c 12.91696338 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3As2ClO7 _chemical_formula_sum 'Ce12 As8 Cl4 O28' _cell_volume 937.85969543 _cell_formula_units_Z 4 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 Ce Ce0 1 0.50087554 0.22789567 0.77210433 1.0 Ce Ce1 1 0.50087554 0.77210433 0.22789567 1.0 Ce Ce2 1 0.00087554 0.72789567 0.72789567 1.0 Ce Ce3 1 0.00087554 0.27210433 0.27210433 1.0 Ce Ce4 1 0.52874078 0.94708706 0.63638854 1.0 Ce Ce5 1 0.52874078 0.05291294 0.36361146 1.0 Ce Ce6 1 0.02874078 0.44708706 0.86361146 1.0 Ce Ce7 1 0.02874078 0.55291294 0.13638854 1.0 Ce Ce8 1 0.52874078 0.36361146 0.05291294 1.0 Ce Ce9 1 0.52874078 0.63638854 0.94708706 1.0 Ce Ce10 1 0.02874078 0.86361146 0.44708706 1.0 Ce Ce11 1 0.02874078 0.13638854 0.55291294 1.0 As As12 1 0.49743617 0.29434349 0.48212759 1.0 As As13 1 0.49743617 0.70565651 0.51787241 1.0 As As14 1 0.99743617 0.79434349 0.01787241 1.0 As As15 1 0.99743617 0.20565651 0.98212759 1.0 As As16 1 0.49743617 0.51787241 0.70565651 1.0 As As17 1 0.49743617 0.48212759 0.29434349 1.0 As As18 1 0.99743617 0.01787241 0.79434349 1.0 As As19 1 0.99743617 0.98212759 0.20565651 1.0 Cl Cl20 1 0.96288360 0.33504730 0.66495270 1.0 Cl Cl21 1 0.96288360 0.66495270 0.33504730 1.0 Cl Cl22 1 0.46288360 0.83504730 0.83504730 1.0 Cl Cl23 1 0.46288360 0.16495270 0.16495270 1.0 O O24 1 0.77163220 -0.00000000 0.50000000 1.0 O O25 1 0.27163220 0.50000000 -0.00000000 1.0 O O26 1 0.77163220 0.50000000 -0.00000000 1.0 O O27 1 0.27163220 -0.00000000 0.50000000 1.0 O O28 1 0.45918614 0.21222691 0.59260815 1.0 O O29 1 0.45918614 0.78777309 0.40739185 1.0 O O30 1 0.95918614 0.71222691 0.90739185 1.0 O O31 1 0.95918614 0.28777309 0.09260815 1.0 O O32 1 0.45918614 0.40739185 0.78777309 1.0 O O33 1 0.45918614 0.59260815 0.21222691 1.0 O O34 1 0.95918614 0.90739185 0.71222691 1.0 O O35 1 0.95918614 0.09260815 0.28777309 1.0 O O36 1 0.74567759 0.22496533 0.42339592 1.0 O O37 1 0.74567759 0.77503467 0.57660408 1.0 O O38 1 0.24567759 0.72496533 0.07660408 1.0 O O39 1 0.24567759 0.27503467 0.92339592 1.0 O O40 1 0.74567759 0.57660408 0.77503467 1.0 O O41 1 0.74567759 0.42339592 0.22496533 1.0 O O42 1 0.24567759 0.07660408 0.72496533 1.0 O O43 1 0.24567759 0.92339592 0.27503467 1.0 O O44 1 0.26896866 0.77704007 0.59036368 1.0 O O45 1 0.26896866 0.22295993 0.40963632 1.0 O O46 1 0.76896866 0.27704007 0.90963632 1.0 O O47 1 0.76896866 0.72295993 0.09036368 1.0 O O48 1 0.26896866 0.40963632 0.22295993 1.0 O O49 1 0.26896866 0.59036368 0.77704007 1.0 O O50 1 0.76896866 0.90963632 0.27704007 1.0 O O51 1 0.76896866 0.09036368 0.72295993 1.0