# generated using pymatgen data_Sr6Cr2TcH27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.08274431 _cell_length_b 9.08274557 _cell_length_c 5.07696130 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000309 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6Cr2TcH27 _chemical_formula_sum 'Sr6 Cr2 Tc1 H27' _cell_volume 362.71766628 _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 Sr Sr0 1 0.25801827 0.99527595 0.50000000 1.0 Sr Sr1 1 0.00472405 0.26274232 0.50000000 1.0 Sr Sr2 1 0.73725768 0.74198173 0.50000000 1.0 Sr Sr3 1 0.58140355 0.95647646 0.00000000 1.0 Sr Sr4 1 0.04352354 0.62492709 0.00000000 1.0 Sr Sr5 1 0.37507291 0.41859645 0.00000000 1.0 Cr Cr6 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr7 1 0.33333300 0.66666700 0.50000000 1.0 Tc Tc8 1 0.66666700 0.33333300 0.50000000 1.0 H H9 1 0.84431784 0.00326117 0.23539443 1.0 H H10 1 0.99673883 0.84105768 0.23539443 1.0 H H11 1 0.84431784 0.00326117 0.76460557 1.0 H H12 1 0.99673883 0.84105768 0.76460557 1.0 H H13 1 0.15894232 0.15568216 0.23539443 1.0 H H14 1 0.15894232 0.15568216 0.76460557 1.0 H H15 1 0.30777668 0.96645748 0.00000000 1.0 H H16 1 0.03354252 0.34131920 0.00000000 1.0 H H17 1 0.65868080 0.69222332 0.00000000 1.0 H H18 1 0.21629680 0.53646214 0.27457919 1.0 H H19 1 0.46353786 0.67983366 0.27457919 1.0 H H20 1 0.21629680 0.53646214 0.72542081 1.0 H H21 1 0.53642663 0.20818424 0.74030323 1.0 H H22 1 0.32016634 0.78370320 0.27457919 1.0 H H23 1 0.46353786 0.67983366 0.72542081 1.0 H H24 1 0.67175760 0.46357337 0.74030323 1.0 H H25 1 0.53642663 0.20818424 0.25969677 1.0 H H26 1 0.32016634 0.78370320 0.72542081 1.0 H H27 1 0.67175760 0.46357337 0.25969677 1.0 H H28 1 0.79181576 0.32824240 0.74030323 1.0 H H29 1 0.79181576 0.32824240 0.25969677 1.0 H H30 1 0.34872093 0.49764672 0.50000000 1.0 H H31 1 0.50235328 0.85107421 0.50000000 1.0 H H32 1 0.48649952 0.33963866 0.50000000 1.0 H H33 1 0.14892579 0.65127907 0.50000000 1.0 H H34 1 0.85313914 0.51350048 0.50000000 1.0 H H35 1 0.66036134 0.14686086 0.50000000 1.0