# generated using pymatgen data_Ca19In8N7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.39740012 _cell_length_b 10.39741617 _cell_length_c 10.39742559 _cell_angle_alpha 59.99984365 _cell_angle_beta 60.00023203 _cell_angle_gamma 60.00028580 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca19In8N7 _chemical_formula_sum 'Ca19 In8 N7' _cell_volume 794.80793452 _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 0.17258550 0.49999968 0.82741478 1.0 Ca Ca1 1 0.49999980 0.82741541 0.17258446 1.0 Ca Ca2 1 0.82741407 0.17258491 0.50000021 1.0 Ca Ca3 1 0.16632141 0.83368020 0.16631930 1.0 Ca Ca4 1 0.82741428 0.50000058 0.17258456 1.0 Ca Ca5 1 0.17258557 0.82741472 0.49999969 1.0 Ca Ca6 1 0.16632091 0.16631973 0.83367984 1.0 Ca Ca7 1 0.17258603 0.49999992 0.49999982 1.0 Ca Ca8 1 0.83367868 0.83368048 0.16631965 1.0 Ca Ca9 1 0.83367865 0.16631973 0.83368031 1.0 Ca Ca10 1 0.49999947 0.82741486 0.49999972 1.0 Ca Ca11 1 0.49999995 0.49999985 0.49999987 1.0 Ca Ca12 1 0.50000017 0.50000017 0.17258492 1.0 Ca Ca13 1 0.16632047 0.83367938 0.83367970 1.0 Ca Ca14 1 0.49999975 0.17258479 0.82741567 1.0 Ca Ca15 1 0.50000009 0.17258512 0.50000038 1.0 Ca Ca16 1 0.82741345 0.50000015 0.49999995 1.0 Ca Ca17 1 0.83367941 0.16632047 0.16632019 1.0 Ca Ca18 1 0.49999988 0.49999990 0.82741500 1.0 In In19 1 0.17531080 0.17530221 0.47407795 1.0 In In20 1 0.82468905 0.52592191 0.82469778 1.0 In In21 1 0.47408302 0.17530523 0.17530514 1.0 In In22 1 0.17531089 0.47407780 0.17530214 1.0 In In23 1 0.52592004 0.82469313 0.82469695 1.0 In In24 1 0.17530660 0.17530514 0.17530503 1.0 In In25 1 0.82469366 0.82469451 0.82469496 1.0 In In26 1 0.82468905 0.82469814 0.52592370 1.0 N N27 1 0.67409048 0.32590869 0.67409156 1.0 N N28 1 0.67409091 0.32590913 0.32590857 1.0 N N29 1 0.32590904 0.67409078 0.67409126 1.0 N N30 1 0.32590931 0.67409116 0.32590838 1.0 N N31 1 0.32590908 0.32590859 0.67409144 1.0 N N32 1 0.67409058 0.67409155 0.32590822 1.0 N N33 1 -0.00000006 -0.00000004 -0.00000010 1.0