# generated using pymatgen data_Ca13Nd(InN4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59079069 _cell_length_b 12.08534312 _cell_length_c 11.63510663 _cell_angle_alpha 89.98172973 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca13Nd(InN4)2 _chemical_formula_sum 'Ca13 Nd1 In2 N8' _cell_volume 504.91633529 _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 0.50014263 0.67188830 0.23915941 1.0 Ca Ca1 1 0.50014263 0.32811170 0.76084059 1.0 Ca Ca2 1 0.50003287 0.17030768 0.26534783 1.0 Ca Ca3 1 0.50003287 0.82969232 0.73465217 1.0 Ca Ca4 1 0.50010666 0.00000000 0.50000000 1.0 Ca Ca5 1 0.99994475 0.93094172 0.26523851 1.0 Ca Ca6 1 0.99994475 0.06905828 0.73476149 1.0 Ca Ca7 1 0.00021257 0.42644467 0.24235025 1.0 Ca Ca8 1 0.00021257 0.57355533 0.75764975 1.0 Ca Ca9 1 0.00021173 0.76660607 0.47733712 1.0 Ca Ca10 1 0.00021173 0.23339393 0.52266288 1.0 Ca Ca11 1 0.99976418 0.25856345 0.02393902 1.0 Ca Ca12 1 0.99976418 0.74143655 0.97606098 1.0 Nd Nd13 1 0.49991944 0.50000000 0.00000000 1.0 In In14 1 0.50334478 0.50000000 0.50000000 1.0 In In15 1 0.49540498 0.00000000 0.00000000 1.0 N N16 1 0.00014803 0.59812660 0.12358196 1.0 N N17 1 0.00014803 0.40187340 0.87641804 1.0 N N18 1 0.00005090 0.10246677 0.37131796 1.0 N N19 1 0.00005090 0.89753323 0.62868204 1.0 N N20 1 0.50006877 0.83222218 0.35563740 1.0 N N21 1 0.50006877 0.16777782 0.64436260 1.0 N N22 1 0.50003464 0.33615172 0.13994052 1.0 N N23 1 0.50003464 0.66384828 0.86005948 1.0