# generated using pymatgen data_Ca6Pr11Tm3Pb16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13996034 _cell_length_b 8.55562040 _cell_length_c 16.13471702 _cell_angle_alpha 90.21826306 _cell_angle_beta 89.72854281 _cell_angle_gamma 90.35923213 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca6Pr11Tm3Pb16 _chemical_formula_sum 'Ca6 Pr11 Tm3 Pb16' _cell_volume 1123.61786760 _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 0.83523621 0.66411787 0.37808470 1.0 Ca Ca1 1 0.33409451 0.83623246 0.37721683 1.0 Ca Ca2 1 0.82953735 0.50129301 0.74939901 1.0 Ca Ca3 1 0.32827401 0.99682703 0.75148471 1.0 Ca Ca4 1 0.17093754 0.50116123 0.25002903 1.0 Ca Ca5 1 0.67009358 0.99768071 0.25294824 1.0 Pr Pr6 1 0.84007524 0.67005590 0.12259841 1.0 Pr Pr7 1 0.65936403 0.16743633 0.87767755 1.0 Pr Pr8 1 0.16242701 0.32983078 0.62254150 1.0 Pr Pr9 1 0.50262468 0.67998406 0.59565601 1.0 Pr Pr10 1 0.00386448 0.81919461 0.90350097 1.0 Pr Pr11 1 0.49460202 0.31483241 0.09401709 1.0 Pr Pr12 1 0.99219521 0.18795956 0.40183072 1.0 Pr Pr13 1 0.49664277 0.31695714 0.40694647 1.0 Pr Pr14 1 0.99697174 0.18437496 0.09454314 1.0 Pr Pr15 1 0.50434739 0.68192039 0.90361787 1.0 Pr Pr16 1 0.00579874 0.81499387 0.59621023 1.0 Tm Tm17 1 0.66573641 0.16487707 0.62619303 1.0 Tm Tm18 1 0.16383743 0.33272075 0.87541213 1.0 Tm Tm19 1 0.34033247 0.83192922 0.12198033 1.0 Pb Pb20 1 0.68502152 0.96375410 0.46458942 1.0 Pb Pb21 1 0.19088522 0.54167506 0.03581996 1.0 Pb Pb22 1 0.30447802 0.04398927 0.96376518 1.0 Pb Pb23 1 0.81282202 0.45676106 0.54144195 1.0 Pb Pb24 1 0.33179472 0.03676409 0.54236508 1.0 Pb Pb25 1 0.82834374 0.46060600 0.95863445 1.0 Pb Pb26 1 0.67712142 0.95879647 0.04071846 1.0 Pb Pb27 1 0.18121537 0.53964124 0.45921127 1.0 Pb Pb28 1 0.46562043 0.37990882 0.75079028 1.0 Pb Pb29 1 0.96424754 0.11788863 0.74982084 1.0 Pb Pb30 1 0.53248109 0.62031173 0.24892554 1.0 Pb Pb31 1 0.03966243 0.89098799 0.24550839 1.0 Pb Pb32 1 0.69716179 0.85554417 0.74894735 1.0 Pb Pb33 1 0.19586542 0.64273411 0.75128504 1.0 Pb Pb34 1 0.30193370 0.14131759 0.24801928 1.0 Pb Pb35 1 0.79435373 0.35493932 0.24827052 1.0