# generated using pymatgen data_Sr4Re(IN2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11362365 _cell_length_b 8.17695351 _cell_length_c 11.02738861 _cell_angle_alpha 81.09842270 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr4Re(IN2)2 _chemical_formula_sum 'Sr8 Re2 I4 N8' _cell_volume 544.62846861 _cell_formula_units_Z 2 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 Sr Sr0 1 0.75000000 0.27549421 0.30952210 1.0 Sr Sr1 1 0.75000000 0.99812422 0.62101814 1.0 Sr Sr2 1 0.75000000 0.44019680 0.59195632 1.0 Sr Sr3 1 0.75000000 0.77089795 0.12345873 1.0 Sr Sr4 1 0.25000000 0.00187578 0.37898186 1.0 Sr Sr5 1 0.25000000 0.55980320 0.40804368 1.0 Sr Sr6 1 0.25000000 0.22910205 0.87654127 1.0 Sr Sr7 1 0.25000000 0.72450579 0.69047790 1.0 Re Re8 1 0.75000000 0.78034151 0.40543965 1.0 Re Re9 1 0.25000000 0.21965849 0.59456035 1.0 I I10 1 0.25000000 0.35426435 0.15621000 1.0 I I11 1 0.75000000 0.64573565 0.84379000 1.0 I I12 1 0.25000000 0.86110682 0.09313725 1.0 I I13 1 0.75000000 0.13889318 0.90686275 1.0 N N14 1 0.25000000 0.03790968 0.71454629 1.0 N N15 1 0.00253723 0.22552200 0.49488695 1.0 N N16 1 0.50253723 0.77447800 0.50511305 1.0 N N17 1 0.99746277 0.77447800 0.50511305 1.0 N N18 1 0.75000000 0.58392209 0.33644766 1.0 N N19 1 0.75000000 0.96209032 0.28545371 1.0 N N20 1 0.49746277 0.22552200 0.49488695 1.0 N N21 1 0.25000000 0.41607791 0.66355234 1.0