# generated using pymatgen data_Ba2YbCrN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.52977784 _cell_length_b 10.22228161 _cell_length_c 7.80501839 _cell_angle_alpha 70.01225633 _cell_angle_beta 65.83347391 _cell_angle_gamma 44.15718809 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2YbCrN4 _chemical_formula_sum 'Ba8 Yb4 Cr4 N16' _cell_volume 532.42798778 _cell_formula_units_Z 4 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 Ba Ba0 1 0.57819729 0.92180458 0.92180344 1.0 Ba Ba1 1 0.92180070 0.57820141 0.57819525 1.0 Ba Ba2 1 0.32819930 0.67179859 0.67180475 1.0 Ba Ba3 1 0.11012551 0.11014621 0.88988289 1.0 Ba Ba4 1 0.13987449 0.13985379 0.36011711 1.0 Ba Ba5 1 0.36011483 0.36013261 0.13989680 1.0 Ba Ba6 1 0.67180271 0.32819542 0.32819656 1.0 Ba Ba7 1 0.88988517 0.88986739 0.11010320 1.0 Yb Yb8 1 0.33754919 0.33755480 0.66245112 1.0 Yb Yb9 1 0.91245081 0.91244520 0.58754888 1.0 Yb Yb10 1 0.66245273 0.66243518 0.33754495 1.0 Yb Yb11 1 0.58754727 0.58756482 0.91245505 1.0 Cr Cr12 1 0.49279625 0.00720045 0.49277217 1.0 Cr Cr13 1 0.00721028 0.49281040 0.00721889 1.0 Cr Cr14 1 0.75720375 0.24279955 0.75722783 1.0 Cr Cr15 1 0.24278972 0.75718960 0.24278111 1.0 N N16 1 0.01237128 0.64908660 0.82751581 1.0 N N17 1 0.70376088 0.28279667 0.98588225 1.0 N N18 1 0.64905412 0.01239008 0.51102652 1.0 N N19 1 0.51104703 0.82750501 0.64904707 1.0 N N20 1 0.23762872 0.60091340 0.42248419 1.0 N N21 1 0.73895297 0.42249499 0.60095293 1.0 N N22 1 0.98584107 0.02759096 0.70378468 1.0 N N23 1 0.54623912 0.96720333 0.26411775 1.0 N N24 1 0.42248863 0.73895252 0.23757483 1.0 N N25 1 0.96721127 0.54623355 0.22244121 1.0 N N26 1 0.28278873 0.70376645 0.02755879 1.0 N N27 1 0.82751137 0.51104748 0.01242517 1.0 N N28 1 0.22240701 0.26416317 0.96724049 1.0 N N29 1 0.60094588 0.23760992 0.73897348 1.0 N N30 1 0.26415893 0.22240904 0.54621532 1.0 N N31 1 0.02759299 0.98583683 0.28275951 1.0