# generated using pymatgen data_Sr6Ta2TcH27 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.10758485 _cell_length_b 9.10758492 _cell_length_c 5.16602402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999975 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr6Ta2TcH27 _chemical_formula_sum 'Sr6 Ta2 Tc1 H27' _cell_volume 371.10218302 _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 0.26522619 0.00056036 0.50000000 1.0 Sr Sr1 1 0.99943964 0.26466583 0.50000000 1.0 Sr Sr2 1 0.73533417 0.73477381 0.50000000 1.0 Sr Sr3 1 0.59916010 0.99091089 0.00000000 1.0 Sr Sr4 1 0.00908911 0.60824921 0.00000000 1.0 Sr Sr5 1 0.39175079 0.40083990 0.00000000 1.0 Ta Ta6 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta7 1 0.33333300 0.66666700 0.50000000 1.0 Tc Tc8 1 0.66666700 0.33333300 0.50000000 1.0 H H9 1 0.85135575 0.99886282 0.24957621 1.0 H H10 1 0.00113718 0.85249293 0.24957621 1.0 H H11 1 0.85135575 0.99886282 0.75042379 1.0 H H12 1 0.00113718 0.85249293 0.75042379 1.0 H H13 1 0.14750707 0.14864425 0.24957621 1.0 H H14 1 0.14750707 0.14864425 0.75042379 1.0 H H15 1 0.20505049 0.00272256 0.00000000 1.0 H H16 1 0.99727744 0.20232793 0.00000000 1.0 H H17 1 0.79767207 0.79494951 0.00000000 1.0 H H18 1 0.19378424 0.51855371 0.24220724 1.0 H H19 1 0.48144629 0.67523053 0.24220724 1.0 H H20 1 0.19378424 0.51855371 0.75779276 1.0 H H21 1 0.52922166 0.20613759 0.74876946 1.0 H H22 1 0.32476947 0.80621576 0.24220724 1.0 H H23 1 0.48144629 0.67523053 0.75779276 1.0 H H24 1 0.67691593 0.47077834 0.74876946 1.0 H H25 1 0.52922166 0.20613759 0.25123054 1.0 H H26 1 0.32476947 0.80621576 0.75779276 1.0 H H27 1 0.67691593 0.47077834 0.25123054 1.0 H H28 1 0.79386241 0.32308407 0.74876946 1.0 H H29 1 0.79386241 0.32308407 0.25123054 1.0 H H30 1 0.33736559 0.46624560 0.50000000 1.0 H H31 1 0.53375440 0.87111999 0.50000000 1.0 H H32 1 0.48736635 0.34394609 0.50000000 1.0 H H33 1 0.12888001 0.66263441 0.50000000 1.0 H H34 1 0.85657974 0.51263365 0.50000000 1.0 H H35 1 0.65605391 0.14342026 0.50000000 1.0