# generated using pymatgen data_CaPr2(As3Pd10)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86290423 _cell_length_b 8.86290402 _cell_length_c 8.86290502 _cell_angle_alpha 60.00000716 _cell_angle_beta 60.00000796 _cell_angle_gamma 60.00000451 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPr2(As3Pd10)2 _chemical_formula_sum 'Ca1 Pr2 As6 Pd20' _cell_volume 492.28121601 _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 0.00000000 0.00000000 0.00000000 1.0 Pr Pr1 1 0.25000000 0.25000000 0.25000000 1.0 Pr Pr2 1 0.75000000 0.75000000 0.75000000 1.0 As As3 1 0.73740998 0.26259002 0.26259002 1.0 As As4 1 0.26259002 0.73740998 0.73740998 1.0 As As5 1 0.26259002 0.73740998 0.26259002 1.0 As As6 1 0.73740998 0.26259002 0.73740998 1.0 As As7 1 0.26259002 0.26259002 0.73740998 1.0 As As8 1 0.73740998 0.73740998 0.26259002 1.0 Pd Pd9 1 0.38449705 0.38449705 0.38449705 1.0 Pd Pd10 1 0.61550295 0.61550295 0.61550295 1.0 Pd Pd11 1 0.38449705 0.38449705 0.84651185 1.0 Pd Pd12 1 0.38449705 0.84651185 0.38449705 1.0 Pd Pd13 1 0.61550295 0.61550295 0.15348815 1.0 Pd Pd14 1 0.61550295 0.15348815 0.61550295 1.0 Pd Pd15 1 0.84651185 0.38449705 0.38449705 1.0 Pd Pd16 1 0.15348815 0.61550295 0.61550295 1.0 Pd Pd17 1 0.34952386 0.00000000 0.00000000 1.0 Pd Pd18 1 0.65047614 1.00000000 1.00000000 1.0 Pd Pd19 1 1.00000000 0.34952386 0.65047614 1.0 Pd Pd20 1 0.00000000 0.65047614 0.34952386 1.0 Pd Pd21 1 0.00000000 0.34952386 0.00000000 1.0 Pd Pd22 1 0.65047614 0.00000000 0.34952386 1.0 Pd Pd23 1 1.00000000 0.65047614 1.00000000 1.0 Pd Pd24 1 0.34952386 1.00000000 0.65047614 1.0 Pd Pd25 1 0.00000000 0.00000000 0.34952386 1.0 Pd Pd26 1 1.00000000 1.00000000 0.65047614 1.0 Pd Pd27 1 0.65047614 0.34952386 1.00000000 1.0 Pd Pd28 1 0.34952386 0.65047614 0.00000000 1.0