# generated using pymatgen data_Ca7La3Pb8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.14241044 _cell_length_b 8.68686649 _cell_length_c 16.39964693 _cell_angle_alpha 90.04435954 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca7La3Pb8 _chemical_formula_sum 'Ca14 La6 Pb16' _cell_volume 1159.98000960 _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 0.82733711 0.66420399 0.12372388 1.0 Ca Ca1 1 0.32733711 0.83579601 0.37627612 1.0 Ca Ca2 1 0.67469994 0.16724476 0.87735681 1.0 Ca Ca3 1 0.17469994 0.33275524 0.62264319 1.0 Ca Ca4 1 0.17328234 0.33179211 0.87768785 1.0 Ca Ca5 1 0.67328234 0.16820789 0.62231215 1.0 Ca Ca6 1 0.32193945 0.83778613 0.12475630 1.0 Ca Ca7 1 0.82193945 0.66221387 0.37524370 1.0 Ca Ca8 1 0.99136008 0.19147089 0.09497342 1.0 Ca Ca9 1 0.49136008 0.30852911 0.40502658 1.0 Ca Ca10 1 0.65689740 0.99996877 0.25022278 1.0 Ca Ca11 1 0.15689740 0.50003123 0.24977722 1.0 Ca Ca12 1 0.84406103 0.49670375 0.75000181 1.0 Ca Ca13 1 0.34406103 0.00329625 0.74999819 1.0 La La14 1 0.51048582 0.68664149 0.90419894 1.0 La La15 1 0.01048582 0.81335851 0.59580106 1.0 La La16 1 0.00986871 0.81404055 0.90423446 1.0 La La17 1 0.50986871 0.68595945 0.59576554 1.0 La La18 1 0.48942723 0.31057840 0.09684084 1.0 La La19 1 0.98942723 0.18942160 0.40315916 1.0 Pb Pb20 1 0.02301807 0.88883775 0.25241430 1.0 Pb Pb21 1 0.52301807 0.61116225 0.24758570 1.0 Pb Pb22 1 0.47502624 0.39007117 0.74996263 1.0 Pb Pb23 1 0.97502624 0.10992883 0.75003737 1.0 Pb Pb24 1 0.78054248 0.35645912 0.24888765 1.0 Pb Pb25 1 0.28054248 0.14354088 0.25111235 1.0 Pb Pb26 1 0.71705028 0.85667573 0.74957657 1.0 Pb Pb27 1 0.21705028 0.64332427 0.75042343 1.0 Pb Pb28 1 0.82854610 0.46852853 0.95759659 1.0 Pb Pb29 1 0.32854610 0.03147147 0.54240341 1.0 Pb Pb30 1 0.67270188 0.96454149 0.04139913 1.0 Pb Pb31 1 0.17270188 0.53545851 0.45860087 1.0 Pb Pb32 1 0.17247070 0.53723408 0.03979229 1.0 Pb Pb33 1 0.67247070 0.96276592 0.46020771 1.0 Pb Pb34 1 0.33128413 0.03345561 0.95891530 1.0 Pb Pb35 1 0.83128413 0.46654439 0.54108470 1.0