# generated using pymatgen data_CeTm3(BRu)16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15497009 _cell_length_b 7.43238392 _cell_length_c 7.43245273 _cell_angle_alpha 90.19177966 _cell_angle_beta 113.86298080 _cell_angle_gamma 113.86281502 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeTm3(BRu)16 _chemical_formula_sum 'Ce1 Tm3 B16 Ru16' _cell_volume 414.44196032 _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 Ce Ce0 1 0.74999790 0.87499381 0.12499586 1.0 Tm Tm1 1 0.25000115 0.62501443 0.37498841 1.0 Tm Tm2 1 0.75000165 0.37498008 0.62502226 1.0 Tm Tm3 1 0.25000247 0.12500864 0.87498759 1.0 B B4 1 0.91546471 0.29155644 0.06750488 1.0 B B5 1 0.41017535 0.56541662 0.12381190 1.0 B B6 1 0.08983422 0.21362658 0.15521682 1.0 B B7 1 0.58678197 0.15282689 0.21114235 1.0 B B8 1 0.41342419 0.06570996 0.28933894 1.0 B B9 1 0.91546351 0.62390679 0.34796375 1.0 B B10 1 0.58453432 0.65203554 0.37609533 1.0 B B11 1 0.08982976 0.87619054 0.43458864 1.0 B B12 1 0.91322835 0.12436682 0.56605767 1.0 B B13 1 0.41341279 0.34770845 0.62407015 1.0 B B14 1 0.08659093 0.37593024 0.65229585 1.0 B B15 1 0.58453072 0.93249035 0.70843943 1.0 B B16 1 0.41016832 0.84478554 0.78637631 1.0 B B17 1 0.91321484 0.78885306 0.84717128 1.0 B B18 1 0.58676557 0.43393906 0.87563068 1.0 B B19 1 0.08658205 0.71066322 0.93429679 1.0 Ru Ru20 1 0.87231369 0.55066038 0.03673437 1.0 Ru Ru21 1 0.37229710 0.83571127 0.05085215 1.0 Ru Ru22 1 0.12770363 0.94914281 0.16428656 1.0 Ru Ru23 1 0.62703209 0.46391044 0.17905091 1.0 Ru Ru24 1 0.37423030 0.33549229 0.32235558 1.0 Ru Ru25 1 0.87234823 0.32167381 0.33558795 1.0 Ru Ru26 1 0.62768441 0.96326235 0.44934510 1.0 Ru Ru27 1 0.12769959 0.17854480 0.46339063 1.0 Ru Ru28 1 0.87296072 0.82094360 0.53608660 1.0 Ru Ru29 1 0.37420750 0.03871005 0.55185635 1.0 Ru Ru30 1 0.12577763 0.67765071 0.66451363 1.0 Ru Ru31 1 0.62764949 0.66441034 0.67832008 1.0 Ru Ru32 1 0.37229968 0.53661300 0.82146189 1.0 Ru Ru33 1 0.87296122 0.05201338 0.83688468 1.0 Ru Ru34 1 0.62703161 0.16311175 0.94798483 1.0 Ru Ru35 1 0.12579832 0.44814394 0.96129378 1.0