# generated using pymatgen data_Sr7ReN6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.19924988 _cell_length_b 6.80926691 _cell_length_c 13.94951098 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr7ReN6 _chemical_formula_sum 'Sr28 Re4 N24' _cell_volume 1158.75726017 _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 Sr Sr0 1 0.03215020 0.73032131 0.98309411 1.0 Sr Sr1 1 0.46784980 0.76967869 0.48309411 1.0 Sr Sr2 1 0.53215020 0.76967869 0.01690589 1.0 Sr Sr3 1 0.96784980 0.73032131 0.51690589 1.0 Sr Sr4 1 0.96784980 0.26967869 0.01690589 1.0 Sr Sr5 1 0.53215020 0.23032131 0.51690589 1.0 Sr Sr6 1 0.46784980 0.23032131 0.98309411 1.0 Sr Sr7 1 0.03215020 0.26967869 0.48309411 1.0 Sr Sr8 1 0.22549652 0.85448482 0.62339812 1.0 Sr Sr9 1 0.27450348 0.64551518 0.12339812 1.0 Sr Sr10 1 0.72549652 0.64551518 0.37660188 1.0 Sr Sr11 1 0.77450348 0.85448482 0.87660188 1.0 Sr Sr12 1 0.77450348 0.14551518 0.37660188 1.0 Sr Sr13 1 0.72549652 0.35448482 0.87660188 1.0 Sr Sr14 1 0.27450348 0.35448482 0.62339812 1.0 Sr Sr15 1 0.22549652 0.14551518 0.12339812 1.0 Sr Sr16 1 0.28184862 0.62354935 0.87614330 1.0 Sr Sr17 1 0.21815138 0.87645065 0.37614330 1.0 Sr Sr18 1 0.78184862 0.87645065 0.12385670 1.0 Sr Sr19 1 0.71815138 0.62354935 0.62385670 1.0 Sr Sr20 1 0.71815138 0.37645065 0.12385670 1.0 Sr Sr21 1 0.78184862 0.12354935 0.62385670 1.0 Sr Sr22 1 0.21815138 0.12354935 0.87614330 1.0 Sr Sr23 1 0.28184862 0.37645065 0.37614330 1.0 Sr Sr24 1 0.00000000 0.44250182 0.75000000 1.0 Sr Sr25 1 0.50000000 0.05749818 0.25000000 1.0 Sr Sr26 1 0.00000000 0.55749818 0.25000000 1.0 Sr Sr27 1 0.50000000 0.94250182 0.75000000 1.0 Re Re28 1 0.00000000 0.94512692 0.75000000 1.0 Re Re29 1 0.50000000 0.55487308 0.25000000 1.0 Re Re30 1 0.00000000 0.05487308 0.25000000 1.0 Re Re31 1 0.50000000 0.44512692 0.75000000 1.0 N N32 1 0.11485486 0.78775803 0.79554469 1.0 N N33 1 0.38514514 0.71224197 0.29554469 1.0 N N34 1 0.61485486 0.71224197 0.20445531 1.0 N N35 1 0.88514514 0.78775803 0.70445531 1.0 N N36 1 0.88514514 0.21224197 0.20445531 1.0 N N37 1 0.61485486 0.28775803 0.70445531 1.0 N N38 1 0.38514514 0.28775803 0.79554469 1.0 N N39 1 0.11485486 0.21224197 0.29554469 1.0 N N40 1 0.16462371 0.58226775 0.50055881 1.0 N N41 1 0.33537629 0.91773225 0.00055881 1.0 N N42 1 0.66462371 0.91773225 0.49944119 1.0 N N43 1 0.83537629 0.58226775 0.99944119 1.0 N N44 1 0.83537629 0.41773225 0.49944119 1.0 N N45 1 0.66462371 0.08226775 0.99944119 1.0 N N46 1 0.33537629 0.08226775 0.50055881 1.0 N N47 1 0.16462371 0.41773225 0.00055881 1.0 N N48 1 0.44704393 0.60286367 0.64865690 1.0 N N49 1 0.05295607 0.89713633 0.14865690 1.0 N N50 1 0.94704393 0.89713633 0.35134310 1.0 N N51 1 0.55295607 0.60286367 0.85134310 1.0 N N52 1 0.55295607 0.39713633 0.35134310 1.0 N N53 1 0.94704393 0.10286367 0.85134310 1.0 N N54 1 0.05295607 0.10286367 0.64865690 1.0 N N55 1 0.44704393 0.39713633 0.14865690 1.0