# generated using pymatgen data_Ta6ZnIn5Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46120505 _cell_length_b 6.30548895 _cell_length_c 13.38757016 _cell_angle_alpha 89.99997175 _cell_angle_beta 89.99990473 _cell_angle_gamma 89.99880086 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6ZnIn5Ru12 _chemical_formula_sum 'Ta6 Zn1 In5 Ru12' _cell_volume 376.59340872 _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 Ta Ta0 1 0.99998234 0.49999571 0.99508477 1.0 Ta Ta1 1 0.49988602 0.00000423 0.16407767 1.0 Ta Ta2 1 0.99988419 0.49999586 0.33333626 1.0 Ta Ta3 1 0.50000063 0.00000123 0.50258800 1.0 Ta Ta4 1 0.00012860 0.49999727 0.67158233 1.0 Ta Ta5 1 0.50011033 0.00000536 0.83333426 1.0 Zn Zn6 1 0.50016868 0.49999658 0.83331743 1.0 In In7 1 0.99999894 0.00000368 0.99862190 1.0 In In8 1 0.49983649 0.49999341 0.16525601 1.0 In In9 1 0.99988583 0.00000409 0.33331135 1.0 In In10 1 0.49999393 0.49999373 0.50140822 1.0 In In11 1 0.00012925 0.00000616 0.66807777 1.0 Ru Ru12 1 0.49998778 0.25318346 0.99676264 1.0 Ru Ru13 1 0.50001488 0.74681640 0.99676279 1.0 Ru Ru14 1 0.99985399 0.24949837 0.16617479 1.0 Ru Ru15 1 0.99985181 0.75050319 0.16617486 1.0 Ru Ru16 1 0.49987305 0.25011674 0.33333704 1.0 Ru Ru17 1 0.49989390 0.74987925 0.33333741 1.0 Ru Ru18 1 0.99999492 0.24946593 0.50048435 1.0 Ru Ru19 1 0.99999260 0.75053365 0.50048489 1.0 Ru Ru20 1 0.50010233 0.25318504 0.66989644 1.0 Ru Ru21 1 0.50013702 0.74681603 0.66989554 1.0 Ru Ru22 1 0.00015119 0.25657704 0.83334800 1.0 Ru Ru23 1 0.00013330 0.74342658 0.83334829 1.0