# generated using pymatgen data_Ca5Tb4YbSn8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88922115 _cell_length_b 8.44290467 _cell_length_c 16.06334232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Tb4YbSn8 _chemical_formula_sum 'Ca10 Tb8 Yb2 Sn16' _cell_volume 1069.94617388 _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 0.50927040 0.68810858 0.59293768 1.0 Ca Ca1 1 0.00927040 0.81189142 0.90706232 1.0 Ca Ca2 1 0.49087655 0.31224855 0.09363697 1.0 Ca Ca3 1 0.99087655 0.18775145 0.40636303 1.0 Ca Ca4 1 0.49087655 0.31224855 0.40636303 1.0 Ca Ca5 1 0.99087655 0.18775145 0.09363697 1.0 Ca Ca6 1 0.50927040 0.68810858 0.90706232 1.0 Ca Ca7 1 0.00927040 0.81189142 0.59293768 1.0 Ca Ca8 1 0.83980929 0.51141815 0.75000000 1.0 Ca Ca9 1 0.33980929 0.98858185 0.75000000 1.0 Tb Tb10 1 0.67699977 0.16702650 0.62201712 1.0 Tb Tb11 1 0.17699977 0.33297350 0.87798288 1.0 Tb Tb12 1 0.32307777 0.83271758 0.12295654 1.0 Tb Tb13 1 0.82307777 0.66728242 0.37704346 1.0 Tb Tb14 1 0.32307777 0.83271758 0.37704346 1.0 Tb Tb15 1 0.82307777 0.66728242 0.12295654 1.0 Tb Tb16 1 0.67699977 0.16702650 0.87798288 1.0 Tb Tb17 1 0.17699977 0.33297350 0.62201712 1.0 Yb Yb18 1 0.15995326 0.48856250 0.25000000 1.0 Yb Yb19 1 0.65995326 0.01143750 0.25000000 1.0 Sn Sn20 1 0.66533318 0.96299607 0.45842848 1.0 Sn Sn21 1 0.16533318 0.53700393 0.04157152 1.0 Sn Sn22 1 0.33447307 0.03753544 0.95989907 1.0 Sn Sn23 1 0.83447307 0.46246456 0.54010093 1.0 Sn Sn24 1 0.33447307 0.03753544 0.54010093 1.0 Sn Sn25 1 0.83447307 0.46246456 0.95989907 1.0 Sn Sn26 1 0.66533318 0.96299607 0.04157152 1.0 Sn Sn27 1 0.16533318 0.53700393 0.45842848 1.0 Sn Sn28 1 0.47418341 0.37335418 0.75000000 1.0 Sn Sn29 1 0.97418341 0.12664582 0.75000000 1.0 Sn Sn30 1 0.52480410 0.62494644 0.25000000 1.0 Sn Sn31 1 0.02480410 0.87505356 0.25000000 1.0 Sn Sn32 1 0.72480039 0.87557161 0.75000000 1.0 Sn Sn33 1 0.22480039 0.62442839 0.75000000 1.0 Sn Sn34 1 0.27638708 0.12544741 0.25000000 1.0 Sn Sn35 1 0.77638708 0.37455259 0.25000000 1.0