# generated using pymatgen data_Ca5La4YSi8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60577685 _cell_length_b 8.01440072 _cell_length_c 15.32734576 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.08201504 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5La4YSi8 _chemical_formula_sum 'Ca10 La8 Y2 Si16' _cell_volume 934.28879795 _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 0.31768079 0.18147052 0.62228037 1.0 Ca Ca1 1 0.68407051 0.82073856 0.37713479 1.0 Ca Ca2 1 0.64300691 0.00143046 0.75001818 1.0 Ca Ca3 1 0.18407051 0.67926144 0.37713479 1.0 Ca Ca4 1 0.81775280 0.31976394 0.87928964 1.0 Ca Ca5 1 0.81768079 0.31852948 0.62228037 1.0 Ca Ca6 1 0.85474596 0.49663929 0.25173157 1.0 Ca Ca7 1 0.35474596 0.00336071 0.25173157 1.0 Ca Ca8 1 0.31775280 0.18023606 0.87928964 1.0 Ca Ca9 1 0.14300691 0.49856954 0.75001818 1.0 La La10 1 0.03042062 0.18539380 0.39937999 1.0 La La11 1 0.53042062 0.31460620 0.39937999 1.0 La La12 1 0.46838447 0.68548352 0.90066097 1.0 La La13 1 0.47005620 0.68565120 0.59924120 1.0 La La14 1 0.97005620 0.81434880 0.59924120 1.0 La La15 1 0.96838447 0.81451648 0.90066097 1.0 La La16 1 0.52993957 0.31425065 0.09898573 1.0 La La17 1 0.02993957 0.18574935 0.09898573 1.0 Y Y18 1 0.18243504 0.68352283 0.12238524 1.0 Y Y19 1 0.68243504 0.81647717 0.12238524 1.0 Si Si20 1 0.25262795 0.87701285 0.75080148 1.0 Si Si21 1 0.47265615 0.60018954 0.24401272 1.0 Si Si22 1 0.02758575 0.09282656 0.75135684 1.0 Si Si23 1 0.52758575 0.40717344 0.75135684 1.0 Si Si24 1 0.13960556 0.47344252 0.53707945 1.0 Si Si25 1 0.97265615 0.89981046 0.24401272 1.0 Si Si26 1 0.74600965 0.11605257 0.24675307 1.0 Si Si27 1 0.86149889 0.53243420 0.04094329 1.0 Si Si28 1 0.36149889 0.96756580 0.04094329 1.0 Si Si29 1 0.14198189 0.47687137 0.96652877 1.0 Si Si30 1 0.63960556 0.02655748 0.53707945 1.0 Si Si31 1 0.35954229 0.97496939 0.46141670 1.0 Si Si32 1 0.85954229 0.52503061 0.46141670 1.0 Si Si33 1 0.75262795 0.62298715 0.75080148 1.0 Si Si34 1 0.24600965 0.38394743 0.24675307 1.0 Si Si35 1 0.64198189 0.02312863 0.96652877 1.0