# generated using pymatgen data_Cu2AsO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77080102 _cell_length_b 8.02924797 _cell_length_c 8.55440400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.50869548 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu2AsO5 _chemical_formula_sum 'Cu8 As4 O20' _cell_volume 396.35433327 _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 Cu Cu0 1 0.53095399 0.85342270 0.60882847 1.0 Cu Cu1 1 0.46904601 0.14657730 0.39117153 1.0 Cu Cu2 1 0.03095399 0.35342270 0.89117153 1.0 Cu Cu3 1 0.96904601 0.64657730 0.10882847 1.0 Cu Cu4 1 0.74810869 0.49972127 0.50139537 1.0 Cu Cu5 1 0.25189131 0.50027873 0.49860463 1.0 Cu Cu6 1 0.24810869 0.99972127 0.99860463 1.0 Cu Cu7 1 0.75189131 0.00027873 0.00139537 1.0 As As8 1 0.48528867 0.75912542 0.25280624 1.0 As As9 1 0.51471133 0.24087458 0.74719376 1.0 As As10 1 0.98528867 0.25912542 0.24719376 1.0 As As11 1 0.01471133 0.74087458 0.75280624 1.0 O O12 1 0.43403164 0.90644437 0.39571523 1.0 O O13 1 0.56596836 0.09355563 0.60428477 1.0 O O14 1 0.93403164 0.40644437 0.10428477 1.0 O O15 1 0.06596836 0.59355563 0.89571523 1.0 O O16 1 0.49445405 0.86191387 0.07513671 1.0 O O17 1 0.50554595 0.13808613 0.92486329 1.0 O O18 1 0.99445405 0.36191387 0.42486329 1.0 O O19 1 0.00554595 0.63808613 0.57513671 1.0 O O20 1 0.50388822 0.63113348 0.56737032 1.0 O O21 1 0.49611178 0.36886652 0.43262968 1.0 O O22 1 0.00388822 0.13113348 0.93262968 1.0 O O23 1 0.99611178 0.86886652 0.06737032 1.0 O O24 1 0.74852823 0.66942562 0.27808877 1.0 O O25 1 0.25147177 0.33057438 0.72191123 1.0 O O26 1 0.24852823 0.16942562 0.22191123 1.0 O O27 1 0.75147177 0.83057438 0.77808877 1.0 O O28 1 0.26302076 0.62395593 0.25512738 1.0 O O29 1 0.73697924 0.37604407 0.74487262 1.0 O O30 1 0.76302076 0.12395593 0.24487262 1.0 O O31 1 0.23697924 0.87604407 0.75512738 1.0