# generated using pymatgen data_MgCd4Cu4As4(HO5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12998307 _cell_length_b 7.84813244 _cell_length_c 9.52546889 _cell_angle_alpha 85.61182901 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgCd4Cu4As4(HO5)4 _chemical_formula_sum 'Mg1 Cd4 Cu4 As4 H4 O20' _cell_volume 456.91665412 _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 Mg Mg0 1 0.75000000 0.74401485 0.41877285 1.0 Cd Cd1 1 0.25000000 0.59557712 0.26629526 1.0 Cd Cd2 1 0.25000000 0.15040078 0.18810330 1.0 Cd Cd3 1 0.75000000 0.37127061 0.68236304 1.0 Cd Cd4 1 0.75000000 0.96216493 0.84094112 1.0 Cu Cu5 1 0.49379579 0.51881125 0.96082910 1.0 Cu Cu6 1 0.01633660 0.00953671 0.53027125 1.0 Cu Cu7 1 0.00620421 0.51881125 0.96082910 1.0 Cu Cu8 1 0.48366340 0.00953671 0.53027125 1.0 As As9 1 0.25000000 0.61100915 0.62605334 1.0 As As10 1 0.25000000 0.14211600 0.86125246 1.0 As As11 1 0.75000000 0.33885647 0.33666405 1.0 As As12 1 0.75000000 0.85731411 0.14324600 1.0 H H13 1 0.25000000 0.77124619 0.00917750 1.0 H H14 1 0.25000000 0.26039988 0.44902170 1.0 H H15 1 0.75000000 0.27966403 0.98755337 1.0 H H16 1 0.75000000 0.74941504 0.65882271 1.0 O O17 1 0.51829151 0.36049168 0.23430596 1.0 O O18 1 0.96443589 0.81281742 0.26222161 1.0 O O19 1 0.01557972 0.57582669 0.72500096 1.0 O O20 1 0.47849793 0.13212772 0.75188633 1.0 O O21 1 0.48442028 0.57582669 0.72500096 1.0 O O22 1 0.02150207 0.13212772 0.75188633 1.0 O O23 1 0.98170849 0.36049168 0.23430596 1.0 O O24 1 0.53556411 0.81281742 0.26222161 1.0 O O25 1 0.25000000 0.48478099 0.48541595 1.0 O O26 1 0.25000000 0.98134839 0.99580354 1.0 O O27 1 0.75000000 0.49829518 0.45468568 1.0 O O28 1 0.75000000 0.06275490 0.07085528 1.0 O O29 1 0.25000000 0.82448125 0.55831886 1.0 O O30 1 0.25000000 0.31985286 0.95907122 1.0 O O31 1 0.75000000 0.15636573 0.45875840 1.0 O O32 1 0.75000000 0.73086901 0.99891171 1.0 O O33 1 0.25000000 0.64425737 0.03154995 1.0 O O34 1 0.25000000 0.13835985 0.42678495 1.0 O O35 1 0.75000000 0.38685174 0.92605479 1.0 O O36 1 0.75000000 0.86018164 0.60077853 1.0