# generated using pymatgen data_Ca6Ga6Ru3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81180098 _cell_length_b 8.17658059 _cell_length_c 14.71861970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.43585111 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6Ga6Ru3Rh _chemical_formula_sum 'Ca12 Ga12 Ru6 Rh2' _cell_volume 699.41827175 _cell_formula_units_Z 2 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 0.11216418 0.54926898 0.60759116 1.0 Ca Ca1 1 0.60753225 0.70369094 0.75053347 1.0 Ca Ca2 1 0.61216418 0.95073102 0.10759116 1.0 Ca Ca3 1 0.38743721 0.05115835 0.89279680 1.0 Ca Ca4 1 0.61162636 0.94924512 0.39222452 1.0 Ca Ca5 1 0.89096952 0.20177558 0.74961581 1.0 Ca Ca6 1 0.39096952 0.29822442 0.24961581 1.0 Ca Ca7 1 0.38642401 0.05211756 0.60705994 1.0 Ca Ca8 1 0.88642401 0.44788244 0.10705994 1.0 Ca Ca9 1 0.11162636 0.55075488 0.89222452 1.0 Ca Ca10 1 0.10753225 0.79630906 0.25053347 1.0 Ca Ca11 1 0.88743721 0.44884165 0.39279680 1.0 Ga Ga12 1 0.06304326 0.85809658 0.74896412 1.0 Ga Ga13 1 0.86802791 0.18134714 0.95788929 1.0 Ga Ga14 1 0.93827116 0.13951588 0.25228229 1.0 Ga Ga15 1 0.56304326 0.64190342 0.24896412 1.0 Ga Ga16 1 0.13594911 0.81435395 0.46031455 1.0 Ga Ga17 1 0.36406884 0.31841619 0.04052559 1.0 Ga Ga18 1 0.62974371 0.68595332 0.53962825 1.0 Ga Ga19 1 0.63594911 0.68564605 0.96031455 1.0 Ga Ga20 1 0.36802791 0.31865286 0.45788929 1.0 Ga Ga21 1 0.12974371 0.81404668 0.03962825 1.0 Ga Ga22 1 0.43827116 0.36048412 0.75228229 1.0 Ga Ga23 1 0.86406884 0.18158381 0.54052559 1.0 Ru Ru24 1 0.90389448 0.89555370 0.59334567 1.0 Ru Ru25 1 0.59690413 0.39649777 0.90735497 1.0 Ru Ru26 1 0.90547434 0.89669383 0.90423408 1.0 Ru Ru27 1 0.40389448 0.60444630 0.09334567 1.0 Ru Ru28 1 0.09690413 0.10350223 0.40735497 1.0 Ru Ru29 1 0.40547434 0.60330617 0.40423408 1.0 Rh Rh30 1 0.59846752 0.39825910 0.59563949 1.0 Rh Rh31 1 0.09846752 0.10174090 0.09563949 1.0