# generated using pymatgen data_Ca6As13Rh20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.78517519 _cell_length_b 13.78517441 _cell_length_c 3.95402455 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999955 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6As13Rh20 _chemical_formula_sum 'Ca6 As13 Rh20' _cell_volume 650.72059173 _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 0.52730804 0.71911891 0.24951084 1.0 Ca Ca1 1 0.28088109 0.80818913 0.24951084 1.0 Ca Ca2 1 0.19181087 0.47269196 0.24951084 1.0 Ca Ca3 1 0.47269196 0.28088109 0.75048916 1.0 Ca Ca4 1 0.71911891 0.19181087 0.75048916 1.0 Ca Ca5 1 0.80818913 0.52730804 0.75048916 1.0 As As6 1 0.52516457 0.13820526 0.25024877 1.0 As As7 1 0.86179474 0.38695931 0.25024877 1.0 As As8 1 0.61304069 0.47483543 0.25024877 1.0 As As9 1 0.94695902 0.71675449 0.25143955 1.0 As As10 1 0.28324551 0.23020553 0.25143955 1.0 As As11 1 0.76979447 0.05304098 0.25143955 1.0 As As12 1 0.38695931 0.52516457 0.74975123 1.0 As As13 1 0.47483543 0.86179474 0.74975123 1.0 As As14 1 0.13820526 0.61304069 0.74975123 1.0 As As15 1 0.71675449 0.76979447 0.74856045 1.0 As As16 1 0.23020553 0.94695902 0.74856045 1.0 As As17 1 0.05304098 0.28324551 0.74856045 1.0 As As18 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh19 1 0.33333300 0.66666700 0.75101178 1.0 Rh Rh20 1 0.92380040 0.25001336 0.25177180 1.0 Rh Rh21 1 0.74998664 0.67378704 0.25177180 1.0 Rh Rh22 1 0.32621296 0.07619960 0.25177180 1.0 Rh Rh23 1 0.43927460 0.02331114 0.74986479 1.0 Rh Rh24 1 0.97668886 0.41596446 0.74986479 1.0 Rh Rh25 1 0.58403554 0.56072540 0.74986479 1.0 Rh Rh26 1 0.66666700 0.33333300 0.24898822 1.0 Rh Rh27 1 0.09165297 0.18741695 0.24951982 1.0 Rh Rh28 1 0.81258305 0.90423602 0.24951982 1.0 Rh Rh29 1 0.09576398 0.90834703 0.24951982 1.0 Rh Rh30 1 0.02331114 0.58403554 0.25013521 1.0 Rh Rh31 1 0.41596446 0.43927460 0.25013521 1.0 Rh Rh32 1 0.56072540 0.97668886 0.25013521 1.0 Rh Rh33 1 0.67378704 0.92380040 0.74822820 1.0 Rh Rh34 1 0.07619960 0.74998664 0.74822820 1.0 Rh Rh35 1 0.25001336 0.32621296 0.74822820 1.0 Rh Rh36 1 0.90834703 0.81258305 0.75048018 1.0 Rh Rh37 1 0.18741695 0.09576398 0.75048018 1.0 Rh Rh38 1 0.90423602 0.09165297 0.75048018 1.0