# generated using pymatgen data_Ca7Cu17O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64064800 _cell_length_b 9.89690100 _cell_length_c 16.43700400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca7Cu17O24 _chemical_formula_sum 'Ca7 Cu17 O24' _cell_volume 592.24387448 _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 Ca Ca0 1 0.35096000 0.00000000 0.62475700 1.0 Ca Ca1 1 0.35903800 0.00000000 0.87373800 1.0 Ca Ca2 1 0.35903800 0.00000000 0.12626200 1.0 Ca Ca3 1 0.35096000 0.00000000 0.37524300 1.0 Ca Ca4 1 0.63244700 0.50000000 0.74697800 1.0 Ca Ca5 1 0.64581300 0.50000000 0.00000000 1.0 Ca Ca6 1 0.63244700 0.50000000 0.25302200 1.0 Cu Cu7 1 0.85766500 0.83231500 0.25185500 1.0 Cu Cu8 1 0.84243400 0.83241600 0.50000000 1.0 Cu Cu9 1 0.85707500 0.83487500 0.00000000 1.0 Cu Cu10 1 0.85766500 0.83231500 0.74814500 1.0 Cu Cu11 1 0.85766500 0.16768500 0.74814500 1.0 Cu Cu12 1 0.85707500 0.16512500 0.00000000 1.0 Cu Cu13 1 0.85766500 0.16768500 0.25185500 1.0 Cu Cu14 1 0.84243400 0.16758400 0.50000000 1.0 Cu Cu15 1 0.14570500 0.33978400 0.62082000 1.0 Cu Cu16 1 0.14659400 0.33580100 0.87383800 1.0 Cu Cu17 1 0.14659400 0.33580100 0.12616200 1.0 Cu Cu18 1 0.14570500 0.33978400 0.37918000 1.0 Cu Cu19 1 0.53866100 0.50000000 0.50000000 1.0 Cu Cu20 1 0.14570500 0.66021600 0.62082000 1.0 Cu Cu21 1 0.14659400 0.66419900 0.87383800 1.0 Cu Cu22 1 0.14659400 0.66419900 0.12616200 1.0 Cu Cu23 1 0.14570500 0.66021600 0.37918000 1.0 O O24 1 0.88834100 0.83094300 0.12585200 1.0 O O25 1 0.88622700 0.82872700 0.37803600 1.0 O O26 1 0.88834100 0.83094300 0.87414800 1.0 O O27 1 0.88622700 0.82872700 0.62196400 1.0 O O28 1 0.61137200 0.00000000 0.74862000 1.0 O O29 1 0.59991700 0.00000000 0.00000000 1.0 O O30 1 0.59448900 0.00000000 0.50000000 1.0 O O31 1 0.61137200 0.00000000 0.25138000 1.0 O O32 1 0.88834100 0.16905700 0.87414800 1.0 O O33 1 0.88622700 0.17127300 0.62196400 1.0 O O34 1 0.88834100 0.16905700 0.12585200 1.0 O O35 1 0.88622700 0.17127300 0.37803600 1.0 O O36 1 0.11403600 0.33696800 0.74545800 1.0 O O37 1 0.11607400 0.33216400 0.00000000 1.0 O O38 1 0.11403600 0.33696800 0.25454200 1.0 O O39 1 0.08591700 0.33507500 0.50000000 1.0 O O40 1 0.43607900 0.50000000 0.61399700 1.0 O O41 1 0.40666900 0.50000000 0.87450800 1.0 O O42 1 0.40666900 0.50000000 0.12549200 1.0 O O43 1 0.43607900 0.50000000 0.38600300 1.0 O O44 1 0.11403600 0.66303200 0.74545800 1.0 O O45 1 0.11607400 0.66783600 0.00000000 1.0 O O46 1 0.11403600 0.66303200 0.25454200 1.0 O O47 1 0.08591700 0.66492500 0.50000000 1.0